Used as a food additive [EAFUS]
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      18358-53-7 2,6,6-trimethylbicyclo[2.2.1]heptan-3-one
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CAS Number: 18358-53-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 242-228-5
Nikkaji Web: J1.824.679A
CoE Number: 11125
XlogP3-AA: 2.20 (est)
Molecular Weight: 152.23672000
Formula: C10 H16 O
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: Mixture of diastereoisomers. Approx. 25 % of each (EFFA, 2012g).
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
JECFA Food Flavoring: 1868  3-pinanone
DG SANTE Food Flavourings: 07.171  isopinocamphone
FEMA Number: 4198 3-pinanone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):18358-53-7 ; 3-PINANONE
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.96300 to 0.96900 @  25.00 °C.
Pounds per Gallon - (est).: 8.013 to  8.063
Refractive Index: 1.47200 to 1.47800 @  20.00 °C.
Boiling Point: 207.00 to  209.00 °C. @ 760.00 mm Hg
Boiling Point: 69.00 to  71.00 °C. @ 5.00 mm Hg
Vapor Pressure: 0.213000 mmHg @ 25.00 °C. (est)
Flash Point: 163.00 °F. TCC ( 72.78 °C. )
logP (o/w): 2.343 (est)
Soluble in:
 water, 199.9 mg/L @ 25 °C (est)
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Organoleptic Properties:
Odor Type: woody
Odor Strength: medium
 cedar  camphoreous  
Odor Description:
at 100.00 %. 
cedar camphoreous
Odor and/or flavor descriptions from others (if found).
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Cosmetic Information:
None found
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BOC Sciences
For experimental / research use only.
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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
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: flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for isopinocamphone usage levels up to:
  2.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.024 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1000 (μg/person/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 22
Click here to view publication 22
 average usual ppmaverage maximum ppm
baked goods: 5.0000025.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: 2.0000010.00000
cheese: 3.0000015.00000
chewing gum: --
condiments / relishes: 2.0000010.00000
confectionery froastings: 4.0000020.00000
egg products: --
fats / oils: 2.0000010.00000
fish products: 1.000005.00000
frozen dairy: 3.0000015.00000
fruit ices: 3.0000015.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 5.0000025.00000
imitation dairy: 3.0000015.00000
instant coffee / tea: --
jams / jellies: --
meat products: 1.000005.00000
milk products: 3.0000015.00000
nut products: --
other grains: --
poultry: 1.000005.00000
processed fruits: 2.0000010.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 2.0000010.00000
snack foods: --
soft candy: 5.0000025.00000
soups: 2.0000010.00000
sugar substitutes: --
sweet sauces: 2.0000010.00000
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): 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0): 3.0000015.00000
Processed fruit (04.1): 2.0000010.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 4.0000020.00000
Chewing gum (05.0): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 2.0000010.00000
Bakery wares (07.0): 5.0000025.00000
Meat and meat products, including poultry and game (08.0): 1.000005.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 1.000005.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 2.0000010.00000
Foodstuffs intended for particular nutritional uses (13.0): 3.0000015.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): --
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 4.0000020.00000
Ready-to-eat savouries (15.0): 5.0000025.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 2.0000010.00000
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Safety References:
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 47, (FGE.47)[1] - Bicyclic secondary alcohols, ketones and related esters from chemical group 8 - 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 87, (FGE.87)[1] - Consideration of bicyclic secondary alcohols, ketones and related esters evaluated by JECFA (63rd meeting) structurally related to bicyclic secondary alcohols, ketones and related esters evaluated by EFSA in FGE.47 (2008) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 47, Revision 1 (FGE.47Rev1): Bi- and tricyclic secondary alcohols, ketones and related esters from chemical group 8
View page or View pdf
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 86707
National Institute of Allergy and Infectious Diseases: Data
Chemidplus: 0018358537
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Leffingwell: Chirality or Article
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 86707
Pubchem (sid): 135044289
Pherobase: View
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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
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB35656
FooDB: FDB014371
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
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Potential Blenders and core components note
For Odor
 amber decaneFR
 hemlock western oil (tsuga heterophylla) canadaFR
 rosemary absoluteFL/FR
 cedarleaf oil terpenelessFR
 cedarleaf oil western redFR
 amber decatrieneFR
 ambrene acetalFR
 amyris acetateFR
 caryophyllene alcohol acetateFR
 cedar cyclododecatrieneFR
 cedarwood oil atlantaFR
 cedarwood oil himalayaFR
 cedarwood oil texasFR
 cedarwood oil virginiaFR
 cedrela wood oilFR
 cedrenyl acetateFR
 cedryl acetateFL/FR
 sugi wood oilFR
 thujopsis dolabrata wood oilFR
 woody acetateFR
 woody dodecaneFR
 woody etherFR
For Flavor
No flavor group found for these
 rosemary absoluteFL/FR
 cedryl acetateFL/FR
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Potential Uses:
 ash mountain ashFR
 benzoin absolute replacerFL/FR
 birch tarFL/FR
 buchu leafFL
 cabreuva woodFR
 cade oil replacerFR
 calamus oil replacerFR
 cardamom oil replacerFR
 cedar forestFR
 cedarwood atlasFR
 clary sage oil replacerFR
 croton eluteria barkFL/FR
 cypress oil replacerFR
 fir needle oil replacerFR
 galangal rootFL/FR
 gurjun balsamFR
 hay new mown hayFR
 hinoki oil replacerFR
 iris blossomFR
 juniper berryFR
 orange bitter orange peelFL/FR
 pine forestFR
 pine needleFL/FR
 pine scotch pineFL/FR
 spikenard oil replacerFR
 sweet grassFR
 tansy oil replacerFL/FR
 tarragon oil replacerFL/FR
 tea black teaFL
 tolu balsamFR
 wormseed oil replacerFR
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Occurrence (nature, food, other): note
 apricot fruit - up to 2.2 mg/kg
Search Trop  Picture
 bergamot mint oil @ 0.0-0.2%
Data  GC  Search Trop  Picture
Search  PMC Picture
 cistus oil @ 0.7%
Data  GC  Search Trop  Picture
 hyssop oil @ 17.4%
Data  GC  Search Trop  Picture
 hyssop oil CO2 extract @ 16.5%
Data  GC  Search Trop  Picture
 labdanum leaf oil @ 0.50%
Data  GC  Search Trop  Picture
 lime oil distilled peru @ 0.05%
Data  GC  Search Trop  Picture
 mandarin oil uruguay @ 0.01-0.02%
Data  GC  Search Trop  Picture
 nepeta denudata benth. oil iran @ 0.30%
Data  GC  Search Trop  Picture
 patchouli oil china @ 0.01%
Data  GC  Search Trop  Picture
 rosemary oil france @ 0.06-0.58%
Data  GC  Search Trop  Picture
 rosemary oil morocco @ 0.04-0.13%
Data  GC  Search Trop  Picture
 wormwood oil italy @ trace%
Data  GC  Search Trop  Picture
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2,6,6-trimethyl bicyclo(3.1.1)heptan-3-one
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PubMed: Mycotoxicogenic fungal inhibition by innovative cheese cover with aromatic plants.
PubMed: Synthesis of 2-(pyridin-3-yl)-1-azabicyclo[3.2.2]nonane, 2-(pyridin-3-yl)-1-azabicyclo[2.2.2]octane, and 2-(pyridin-3-yl)-1-azabicyclo[3.2.1]octane, a class of potent nicotinic acetylcholine receptor-ligands.
PubMed: A general, efficient and stereospecific route to sphingosine, sphinganines, phytosphingosines and their analogs.
PubMed: A general procedure for the enantioselective synthesis of the minor tobacco alkaloids nornicotine, anabasine, and anatabine.
PubMed: Synthesis, theoretical and structural analyses, and enantiopharmacology of 3-carboxy homologs of AMPA.
PubMed: Identification of plant odours activating receptor neurones in the weevil Pissodes notatus F. (Coleoptera, Curculionidae).
PubMed: Metabolism and mode of action of cis- and trans-3-pinanones (the active ingredients of hyssop oil).
PubMed: Muscle relaxing activity of Hyssopus officinalis essential oil on isolated intestinal preparations.
PubMed: A novel enantioselective synthesis of (S)-(-)- and (R)-(+)-nornicotine via alkylation of a chiral 2-hydroxy-3-pinanone ketimine template.
PubMed: [Investigation of variation of the production of biological and chemical compounds of Hyssopus officinalis L].
PubMed: Neutral compounds from male castoreum of North American beaver,Castor canadensis.
PubMed: Electroantennogram responses of the southern pine beetle parasitoidDinotiscus dendroctoni (Ashmead) (Hymenoptera: Pteromalidae) to potential semiochemicals.
PubMed: Volatile Constituents of Dracocephalum nutans.
PubMed: Composition of essential oil of Ledum palustre.
PubMed: [Experimental study of the toxic convulsant properties of commercial preparations of essences of sage and hyssop (author's transl)].
PubMed: [Synthesis and properties of 4-hydroxymethylene(-)3-pinanone and various derivatives].
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