citral / diisotridecyl acetal
((3,7-dimethyl-2,6-octadienylidene)bis(oxy))bisisotridecane
 
Notes:
None found
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CAS Number: 93843-13-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 299-092-5
XlogP3-AA: 15.10 (est)
Molecular Weight: 534.95230000
Formula: C36 H70 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 581.00 to  582.00 °C. @ 760.00 mm Hg (est)
logP (o/w): 16.150 (est)
Soluble in:
 alcohol
 water, 6.066e-011 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: green
 
 fresh  green  woody  lemon  fruity  
Odor Description:
at 100.00 %. 
fresh green woody lemon fruity
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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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
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Safety in Use Information:
Category: fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
Recommendation for citral / diisotridecyl acetal flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
AIDS Citations: Search
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EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 19693163
National Institute of Allergy and Infectious Diseases: Data
 1-[(2E)-3,7-dimethyl-1-(11-methyldodecoxy)octa-2,6-dienoxy]-11-methyldodecane
Chemidplus: 0093843131
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References:
 1-[(2E)-3,7-dimethyl-1-(11-methyldodecoxy)octa-2,6-dienoxy]-11-methyldodecane
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 19693163
Pubchem (sid): 135270175
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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): Search
Export Tariff Code: 2911.00.5000
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
balsamic
 betula pubescens bud oilFL/FR
 fir balsam absoluteFR
 fir balsam absolute replacerFL/FR
 fir balsam concreteFR
citrus
 elemi oil replacerFR
 lime oil fractionsFR
alpha-methylene citronellalFR
 neroli ketoneFR
 petitgrain combava oilFR
dry
 autumn specialtyFR
floral
 glycoacetalFR
 karo karounde absoluteFR
 karo karounde absolute replacerFR
 linaloolFL/FR
 melaleuca ericifolia leaf oilFR
 orange leaf absoluteFL/FR
 orris rhizome absolute (iris germanica)FL/FR
fruity
 cyclohexyl crotonateFR
1,4-dibutyl-6,8-dioxabicyclo(3.2.1)octaneFR
1,4-diisopropyl-6,8-dioxabicyclo(3.2.1)octaneFR
 eucalyptus staigeriana oilFR
 grapefruit acetalFR
 kumquat specialtyFR
green
 bergoxaneFR
 elemi specialtyFR
 forest fragranceFR
 fresh nitrileFR
 galbanum oleoresinFL/FR
 galbanum resinoidFL/FR
 galbanum resinoid replacerFR
herbal
(+)-alpha-campholenic aldehydeFL/FR
 canarium luzonicum gumFL/FR
 canarium luzonicum oilFL/FR
isodihydrolavandulalFL/FR
 elemi resinoid replacerFR
 nonisyl formateFR
 tricyclo(5.2.1.02,6)dec-3-enyl acetateFR
leafy
 autumn fragranceFR
minty
(-)-isopulegolFL/FR
isopulegolFL/FR
2,4,4,6-tetramethyl cyclohexa-2,5-diene-1-oneFR
pine
 pine oil 85FR
spicy
2,5-dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate + 1,4-dimethyl bicyclo(3.2.1)-2-octen-3-yl acetateFR
2-octanolFL/FR
black pepper oil CO2 extractFL/FR
terpenic
 elemi resinoidFL/FR
 juniper branch oilFR
alpha-phellandreneFL/FR
woody
 bruyere root absoluteFR
 costus specialtyFR
alpha-farneseneFL/FR
alpha-farnesene isomerFL/FR
 humulus lupulus extractFL/FR
 juniper fragranceFR
 moss naphthaleneolFR
(±)-tetrahydronootkatoneFL/FR
 xanthoxylum alatum roxb. oilFR
 
For Flavor
 
No flavor group found for these
 betula pubescens bud oilFL/FR
(±)-tetrahydronootkatoneFL/FR
balsamic
 fir balsam absolute replacerFL/FR
citrus
 linaloolFL/FR
floral
 orange leaf absoluteFL/FR
green
(+)-alpha-campholenic aldehydeFL/FR
 canarium luzonicum gumFL/FR
 canarium luzonicum oilFL/FR
 elemi resinoidFL/FR
alpha-farneseneFL/FR
alpha-farnesene isomerFL/FR
 galbanum oleoresinFL/FR
 galbanum resinoidFL/FR
herbal
isodihydrolavandulalFL/FR
minty
isopulegolFL/FR
(-)-isopulegolFL/FR
spicy
2-octanolFL/FR
black pepper oil CO2 extractFL/FR
sweet
 orris rhizome absolute (iris germanica)FL/FR
terpenic
alpha-phellandreneFL/FR
 humulus lupulus extractFL/FR
 
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Potential Uses:
 greenFR
 lemonFR
 woodyFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 citralione 76 D
1-[(2E)-3,7-dimethyl-1-(11-methyldodecoxy)octa-2,6-dienoxy]-11-methyldodecane
((3,7-dimethyl-2,6-octadienylidene) bis(oxy)) bisisotridecane
((3,7-dimethyl-2,6-octadienylidene)bis(oxy))bisisotridecane
isotridecane, ((3,7-dimethyl-2,6-octadienylidene)bis(oxy))bis-
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