alpha-bisabolene
4-(1,5-dimethylhexa-1,4-dien-1-yl)-1-methylcyclohexene
 
Notes:
Flavouring ingredient isol. from bisabol myrrh and other natural sources, e.g. lemon, bergamot
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      17627-44-0 6-methyl-2-(4-methylcyclohex-3-enyl)hept-2,5-diene 97.0% (sum of isomers)
       
  • CSA
  • Indukern F&F
  • The Lermond Company
    • The Lermond Company
      Your Sourcing Resource
      The Lermond family has been sourcing raw materials for the flavor and fragrance industry for nearly 7 decades.
      The Lermond Company is a women-owned distributor of raw materials primarily servicing the flavor and fragrance industry. For three generations, members of the Lermond family have been integral sourcing partners for the North American flavor and fragrance industry. We supply high quality essential oils, aroma chemicals, absolutes, concretes, resinoids and floral waters from around the world to the global industry.
      Email: Info
      Email: Tara
      Email: Erica
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      Product(s):
      70025 ALPHA BISABOLENE, NATURAL
       
  • Ernesto Ventós
Synonyms   Articles   Notes   Search
CAS Number: 17627-44-0Picture of molecule3D/inchi
Other(deleted CASRN): 57194-38-4
ECHA EINECS - REACH Pre-Reg: 241-610-9
FDA UNII: SUQ209P6FX
XlogP3-AA: 5.20 (est)
Molecular Weight: 204.35628000
Formula: C15 H24
NMR Predictor: Predict (works with chrome, Edge or firefox)
Also(can) Contains: alpha-farnesene
EFSA/JECFA Comments: CASrn in Register refers to the racemate, (Z)- or (E)- isomer not specified. Racemate of (R)- and (S)-isomers, mixture of (E)- and (Z)-isomers (EFFA, 2010a). CASrn in Register refers to the racemate. Composition of stereoisomeric mixture to be specified.
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
DG SANTE Food Flavourings: 01.027  bisabola-1,8,12-triene
Synonyms   Articles   Notes   Search   Top
Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.91200 to 0.91800 @  25.00 °C.
Pounds per Gallon - (est).: 7.589 to  7.639
Refractive Index: 1.48300 to 1.48900 @  20.00 °C.
Boiling Point: 276.00 to  277.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.004000 mmHg @ 25.00 °C. (est)
Flash Point: 230.00 °F. TCC ( 110.00 °C. )
logP (o/w): 2.696 (est)
Soluble in:
 alcohol
 water, 0.01161 mg/L @ 25 °C (est)
Insoluble in:
 water
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
 
Odor Type: balsamic
 
 balsamic  spicy  floral  
Odor Description:
at 100.00 %. 
balsamic spicy floral
 
Odor and/or flavor descriptions from others (if found).
 
 
Synonyms   Articles   Notes   Search   Top
Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
Synonyms   Articles   Notes   Search   Top
Suppliers:
BOC Sciences
For experimental / research use only.
6-methyl-2-(4-methylcyclohex-3-enyl)hept-2,5-diene 97.0% (sum of isomers)
Ernesto Ventós
BISABOLENE
Indukern F&F
ALPHA BISABOLENE NATURAL
Odor: CITRUS, BALSAMIC, SPICY, WOODY
Indukern F&F
BISABOLENE
Odor: SPICY, BALSAMIC, AGRESTIC, TERPENIC
Parchem
alpha-bisabolene
The Lermond Company
ALPHA BISABOLENE, NATURAL
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
Synonyms   Articles   Notes   Search   Top
Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
Synonyms   Articles   Notes   Search   Top
Safety in Use Information:
Category: flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for alpha-bisabolene usage levels up to:
  6.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.024 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Chewing gum (05.0): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
Synonyms   Articles   Notes   Search   Top
Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of aliphatic and aromatic terpene hydrocarbons used as flavour ingredients. View pdf
European Food Safety Athority(EFSA): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Flavouring Group Evaluation 25, (FGE.25)[1] - Aliphatic and aromatic hydrocarbons from chemical group 31 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
Flavouring Group Evaluation 78 (FGE.78)[1] - Consideration of Aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic and aromatic hydrocarbons evaluated by EFSA in FGE.25 - Scientific Opinion of the Panel on Food Additives,Flavourings, Processing Aids and Materials in Contact with Food (AFC)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 25Rev1: Aliphatic and aromatic hydrocarbons from chemical group 31
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 78, Revision 1 (FGE.78Rev1): Consideration of aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic and aromatic hydrocarbons evaluated by EFSA in FGE.25Rev2
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 25, Revision 2 (FGE.25Rev2): Aliphatic and aromatic hydrocarbons from chemical group 31
View page or View pdf
Scientific opinion on Flavouring Group Evaluation 25, Revision 3 (FGE.25Rev3): Aliphatic hydrocarbons from chemical group 31
View page or View pdf
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 17627-44-0
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 86597
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 1-methyl-4-(6-methylhepta-2,5-dien-2-yl)cyclohexene
Chemidplus: 0017627440
Synonyms   Articles   Notes   Search   Top
References:
 1-methyl-4-(6-methylhepta-2,5-dien-2-yl)cyclohexene
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 17627-44-0
Pubchem (cid): 86597
Pubchem (sid): 135042630
Pherobase: View
Synonyms   Articles   Notes   Search   Top
Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
HMDB (The Human Metabolome Database): HMDB35161
FooDB: FDB013799
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
No odor group found for these
 calamenene 
para-menth-1-en-9-alFL/FR
aldehydic
 agrumen nitrileFR
amber
 labdanum oilFL/FR
balsamic
 artemisia annua herb oil bulgariaFL/FR
sumatra benzoin absoluteFL/FR
 benzyl cinnamateFL/FR
 cinnamyl alcoholFL/FR
 cinnamyl benzoateFL/FR
 copaiba balsam oilFL/FR
 ethyl cinnamateFL/FR
 guaiacyl phenyl acetateFL/FR
alpha-methyl cinnamyl alcoholFR
 myrrh oil CO2 extractFL/FR
 myrrh resinoidFR
 opoponax oil (balsamodendron kafal)FL/FR
 opoponax oil (commiphora erythraea var. glabrescens engle)FL/FR
 opoponax resinoid (balsamodendron kafal)FR
3-phenyl propyl acetateFL/FR
3-phenyl propyl cinnamateFL/FR
caramellic
 mesitene lactoneFR
cheesy
2-heptanoneFL/FR
earthy
3-octen-2-oneFL/FR
 pinus sylvestris leaf absoluteFL/FR
floral
isobutyl salicylateFL/FR
 cardamom absoluteFL/FR
 carnation concreteFR
 cestrum nocturnum flower oilFR
 coffee flower absoluteFR
 coriander seed oilFL/FR
 daffodil fragranceFR
isoeugenyl ethyl acetalFR
 geranium oil bourbonFL/FR
 ginger lily fragranceFR
 hawthorn specialtyFR
 jasmin absolute italy (from concrete)FL/FR
 jonquil absolute replacerFR
ortho-methoxybenzyl ethyl etherFR
 rhodinolFL/FR
 rose absolute (rosa centifolia)FL/FR
 rose absolute (rosa centifolia) moroccoFL/FR
 rose oil (rosa centifolia) egyptFL/FR
 rose oil (rosa damascena) bulgariaFL/FR
 rose oil (rosa damascena) iranFL/FR
 rose oil (rosa damascena) turkeyFL/FR
 rose oil replacerFR
 tuberose absolute chassisFL/FR
 tuberose absolute replacerFR
 ylang ylang flower absoluteFL/FR
 marigold absolute (tagetes glandulifera)FR
 perillyl acetateFL/FR
 xanthoxylum fruit oilFR
green
alpha-allyl-4,6-dimethyl-3-cyclohexene-1-methanyl acetate 
sec-butyl-3-methyl but-2-ene thioateFL/FR
 carrot leaf oil (daucus carota ssp.maximus)FR
 marigold pot absoluteFL/FR
 marigold pot flowerCS
 privet dioxaneFR
herbal
 agate fragranceFR
 carvacryl methyl etherFL/FR
 coriander seed absoluteFL/FR
 coriander seed concreteFR
american elder flower absoluteFR
 herbal acetalFR
1-para-menthen-9-yl acetateFL/FR
T-muurololFL/FR
3-nonanolFL/FR
curled parsley seed oilFL/FR
 rose oil (rosa centifolia) moroccoFL/FR
 saffron indenoneFL/FR
 safranalFL/FR
 thymyl methyl etherFL/FR
minty
 ethyl salicylateFL/FR
musk
 musk indanoneFR
spicy
 acacia fragranceFR
 amyl isoeugenolFR
homoanisaldehydeFL/FR
 bay leaf oil terpenelessFL/FR
 benzyl isoeugenolFL/FR
isobutyl (E,E)-2,4-decadienamideFL/FR
 cananga leaf oilFR
 carnation absolute replacerFR
 carrot weed oilFL/FR
 carvacryl ethyl etherFL/FR
 cinnamaldehyde / methyl anthranilate schiff's baseFR
 cinnamaldehyde dimethyl acetalFL/FR
(Z)-cinnamyl acetateFL/FR
 cinnamyl acetateFL/FR
(E)-cinnamyl acetateFL/FR
 cinnamyl propionateFL/FR
 clove bud oleoresinFL/FR
(-)-cubenolFL/FR
 cuminyl alcoholFL/FR
black currant bud absoluteFL/FR
 eugenyl benzoateFL/FR
 floral spice fragranceFR
star jasmine specialty 
 mace oil CO2 extractFL/FR
 mace oleoresinFL/FR
 maja fragranceFR
sweet marjoram oil (origanum majorana var. tenuifolium weston) cyprus 
para-methoxy-alpha-methyl cinnamaldehydeFL/FR
(E)-para-methoxycinnamaldehydeFL/FR
alpha-methyl cinnamaldehydeFL/FR
 nutmeg absoluteFL/FR
 nutmeg oil CO2 extractFL/FR
 origanum majorana oilFL/FR
 origanum majorana oil moroccoFL/FR
 spicy acetoacetateFL/FR
annus wormwood oil vietnamFL/FR
terpenic
 cypress leaf oilFR
tonka
 dihydrocoumarin replacerFR
woody
 agarwood specialtyFR
 bruyere root absoluteFR
 guaiacwood oil 20% in gurjun balsam oilFR
 kaempferia galanga rhizome oilFL/FR
 patchouli absoluteFR
 rhubarb oxiraneFR
 woody octeneFR
 
For Flavor
 
No flavor group found for these
alpha-allyl-4,6-dimethyl-3-cyclohexene-1-methanyl acetate 
homoanisaldehydeFL/FR
 artemisia annua herb oil bulgariaFL/FR
isobutyl (E,E)-2,4-decadienamideFL/FR
sec-butyl-3-methyl but-2-ene thioateFL/FR
 calamenene 
 carvacryl ethyl etherFL/FR
 carvacryl methyl etherFL/FR
(E)-cinnamyl acetateFL/FR
(Z)-cinnamyl acetateFL/FR
 cinnamyl benzoateFL/FR
2,4-dimethyl anisoleFL
 eugenyl benzoateFL/FR
2-heptyl cyclopropane carboxylic acidFL
star jasmine specialty 
sweet marjoram oil (origanum majorana var. tenuifolium weston) cyprus 
para-menth-1-en-9-alFL/FR
para-methoxy-alpha-methyl cinnamaldehydeFL/FR
(E)-para-methoxycinnamaldehydeFL/FR
T-muurololFL/FR
3-nonanolFL/FR
 pinus sylvestris leaf absoluteFL/FR
 hexyl 3-mercaptobutanoateFL
amber
 labdanum oilFL/FR
balsamic
 copaiba balsam oilFL/FR
 ethyl cinnamateFL/FR
 myrrh oil CO2 extractFL/FR
 opoponax oil (balsamodendron kafal)FL/FR
 opoponax oil (commiphora erythraea var. glabrescens engle)FL/FR
3-phenyl propyl acetateFL/FR
camphoreous
 kaempferia galanga rhizome oilFL/FR
cheesy
2-heptanoneFL/FR
cooling
isobutyl salicylateFL/FR
creamy
3-octen-2-oneFL/FR
floral
 cardamom absoluteFL/FR
 cinnamyl propionateFL/FR
 geranium oil bourbonFL/FR
 jasmin absolute italy (from concrete)FL/FR
 rhodinolFL/FR
 rose absolute (rosa centifolia)FL/FR
 rose absolute (rosa centifolia) moroccoFL/FR
 rose oil (rosa centifolia) egyptFL/FR
 rose oil (rosa damascena) bulgariaFL/FR
 rose oil (rosa damascena) iranFL/FR
 rose oil (rosa damascena) turkeyFL/FR
 tuberose absolute chassisFL/FR
 ylang ylang flower absoluteFL/FR
fruity
1-para-menthen-9-yl acetateFL/FR
 carrot weed oilFL/FR
 cinnamyl alcoholFL/FR
 marigold pot absoluteFL/FR
 perillyl acetateFL/FR
herbal
 coriander seed absoluteFL/FR
 coriander seed oilFL/FR
 origanum majorana oilFL/FR
curled parsley seed oilFL/FR
 rose oil (rosa centifolia) moroccoFL/FR
 saffron indenoneFL/FR
minty
 ethyl salicylateFL/FR
musty
 thymyl methyl etherFL/FR
phenolic
 guaiacyl phenyl acetateFL/FR
spicy
 bay leaf oil terpenelessFL/FR
sumatra benzoin absoluteFL/FR
 benzyl cinnamateFL/FR
 benzyl isoeugenolFL/FR
 cinnamaldehyde dimethyl acetalFL/FR
 cinnamyl acetateFL/FR
 clove bud oleoresinFL/FR
(-)-cubenolFL/FR
 cuminyl alcoholFL/FR
black currant bud absoluteFL/FR
 galangal root oleoresinFL
 mace oil CO2 extractFL/FR
 mace oleoresinFL/FR
4-methyl biphenylFL
alpha-methyl cinnamaldehydeFL/FR
 nutmeg absoluteFL/FR
 nutmeg oil CO2 extractFL/FR
 origanum majorana oil moroccoFL/FR
3-phenyl propyl cinnamateFL/FR
 spicy acetoacetateFL/FR
annus wormwood oil vietnamFL/FR
woody
 safranalFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 bergamotFR
 lemonFR
 myrrhFR
 neroliFR
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 basil absolute sweet @ 0.32%
Data  GC  Search Trop  Picture
 basil oil sweet egypt @ 1.29%
Data  GC  Search Trop  Picture
 basil plant
Search Trop  Picture
 basil shoot oil
Search Trop  Picture
 carrot seed oil @ 3.00%
Data  GC  Search Trop  Picture
 celery seed oil egypt @ 0.12%
Data  GC  Search Trop  Picture
 guava fruit oil reunion @ 0.60%
Data  GC  Search Trop  Picture
 laurel leaf oil turkey @ 0.20%
Data  GC  Search Trop  Picture
 lime fruit
Search Trop  Picture
 oregano plant
Search Trop  Picture
 oregano shoot
Search Trop  Picture
 pepper black pepper fruit oil
Search Trop  Picture
 thyme oil red CO2 extract spain @ 0.8%
Data  GC  Search Trop  Picture
 thyme oil wild or creeping france @ 0.05%
Data  GC  Search Trop  Picture
Synonyms   Articles   Notes   Search   Top
Synonyms:
 bisabola-1,8,12-triene
 bisabola-4,7(11),9-triene
1,8,12-bisabolatriene
a-bisabolene
alpha-bisabolene
 cyclohexene, 4-(1,5-dimethyl-1,4-hexadien-1-yl)-1-methyl-
4-(1,5-dimethyl-1,4-hexadienyl)-1-methyl cyclohexene
4-(1,5-dimethylhexa-1,4-dien-1-yl)-1-methylcyclohexene
 methyl methyl cyclohexenyl heptadiene
6-methyl-2-(4-methyl cyclohex-3-enyl) hept-2,5-diene
6-methyl-2-(4-methylcyclohex-3-enyl)hept-2,5-diene
1-methyl-4-(6-methylhepta-2,5-dien-2-yl)cyclohexene
Synonyms   Articles   Notes   Search   Top
Articles:
PubMed: Essential oil composition of Ficus benjamina (Moraceae) and Irvingia barteri (Irvingiaceae).
PubMed: A method for fast analysis of volatile components of Citrus aurantium L. leaves.
PubMed: Chemical composition and antibacterial activity of the essential oils of Ferula vesceritensis Coss et Dur. leaves, endemic in Algeria.
PubMed: Structure of a three-domain sesquiterpene synthase: a prospective target for advanced biofuels production.
PubMed: Changes in volatile compound composition of Antrodia camphorata during solid state fermentation.
PubMed: Bioactive compounds and prebiotic activity in Thailand-grown red and white guava fruit (Psidium guajava L.).
PubMed: [Analysis of the chemical constituents of volatile oil from Asarum insigne by GC-MS].
PubMed: Pheromone attraction and cross-attraction of Nezara, Acrosternum, and Euschistus spp. stink bugs (Heteroptera: Pentatomidae) in the field.
PubMed: [Analysis of volatile oil from Ardisia brevicaulis].
PubMed: The influence of different nutrient levels on insect-induced plant volatiles in Bt and conventional oilseed rape plants.
PubMed: Testing of a heterologous, wound- and insect-inducible promoter for functional genomics studies in conifer defense.
PubMed: Antimicrobial activity of some essential oils against microorganisms deteriorating fruit juices.
PubMed: From terpenoids to aliphatic acids: further evidence for late-instar switch in osmeterial defense as a characteristic trait of swallowtail butterflies in the tribe papilionini.
PubMed: Volatile allelochemicals in the Ageratum conyzoides intercropped citrus orchard and their effects on mites Amblyseius newsami and Panonychus citri.
PubMed: Asymmetric alpha-alkylation of N'-tert-butanesulfinyl amidines. Application to the total synthesis of (6R,7S)-7-amino-7,8-dihydro-alpha-bisabolene.
PubMed: Functional characterization of nine Norway Spruce TPS genes and evolution of gymnosperm terpene synthases of the TPS-d subfamily.
PubMed: Genomic organization of plant terpene synthases and molecular evolutionary implications.
PubMed: Cloning, expression, and characterization of epi-cedrol synthase, a sesquiterpene cyclase from Artemisia annua L.
PubMed: Terpenoid-based defenses in conifers: cDNA cloning, characterization, and functional expression of wound-inducible (E)-alpha-bisabolene synthase from grand fir (Abies grandis).
PubMed: Sesquiterpene synthases from grand fir (Abies grandis). Comparison of constitutive and wound-induced activities, and cDNA isolation, characterization, and bacterial expression of delta-selinene synthase and gamma-humulene synthase.
PubMed: Bisabolene epoxides in sex pheromone innezara viridula (L.) (Heteroptera: Pentatomidae): Role ofcis isomer and relation to specificity of pheromone.
PubMed: Identification of the defensive secretion from soldiers of the North American termite,Amitermes wheeleri (Desneux) (Isoptera: Termitidae).
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