EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

isopinocamphone
3-pinanone

Supplier Sponsors

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
 
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:
 alcohol
 water
 water, 199.9 mg/L @ 25 °C (est)
 
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).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2,6,6-trimethylbicyclo[2.2.1]heptan-3-one
Parchem
isopinocamphone
 
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
 
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 (05.3): --
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
 
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
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :86707
National Institute of Allergy and Infectious Diseases:Data
2,6,6-trimethylbicyclo[2.2.1]heptan-3-one
Chemidplus:0018358537
 
References:
Leffingwell:Chirality or Article
 2,6,6-trimethylbicyclo[2.2.1]heptan-3-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):86707
Pubchem (sid):135044289
Pherobase:View
 
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
 
Potential Blenders and core components note
For Odor
amber
amber decane
FR
ambroxide
FL/FR
balsamic
hemlock western oil (tsuga heterophylla) canada
FR
herbal
rosemary absolute
FL/FR
thujonic
cedarleaf oil terpeneless
FR
cedarleaf oil western red
FR
woody
amber decatriene
FR
ambrene acetal
FR
amyris acetate
FR
caryophyllene alcohol acetate
FR
cedanol
FR
cedar cyclododecatriene
FR
cedarwood oil atlanta
FR
cedarwood oil himalaya
FR
cedarwood oil texas
FR
cedarwood oil virginia
FR
(R)-
cedralone
FR
cedrela wood oil
FR
alpha-
cedrene
FL/FR
cedrenol
FL/FR
cedrenyl acetate
FR
cedrol
FL/FR
cedryl acetate
FL/FR
sugi wood oil
FR
thujopsis dolabrata wood oil
FR
woody acetate
FR
woody dodecane
FR
woody ether
FR
For Flavor
No flavor group found for these
ambroxide
FL/FR
alpha-
cedrene
FL/FR
herbal
herbal
rosemary absolute
FL/FR
woody
cedrenol
FL/FR
cedrol
FL/FR
cedryl acetate
FL/FR
 
Potential Uses:
FRacacia
FRamber
FRambergris
FRambreine
FRamyris
FL/FRangelica
FRarmoise
FRash mountain ash
FRbark
FRbayberry
FL/FRbeech
FL/FRbenzoin absolute replacer
FL/FRbirch tar
FRboronia
FRboxwood
FLbuchu leaf
FRcabreuva wood
FRcade oil replacer
FRcalamus oil replacer
FRcardamom oil replacer
FRcedar
FRcedar
FRcedar forest
FRcedarwood
FRcedarwood atlas
FRcelery
FRcigar
FL/FRcistus
FRcitronella
FRclary sage oil replacer
FRcostus
FL/FRcroton eluteria bark
FRcypress oil replacer
FRdogwood
FRelemi
FRfern
FRfir needle oil replacer
FRforest
FRfrankincense
FL/FRgalangal root
FRgalbanum
FRginger
FRgingergrass
FL/FRguaiacwood
FRgurjun balsam
FRhay new mown hay
FRheather
FRherbal
FRhinoki oil replacer
FL/FRhyssop
FRiris blossom
FRjuniper
FRjuniper berry
FRlabdanum
FRmace
FRmimosa
FRoakwood
FRopoponax
FL/FRorange bitter orange peel
FRoregano
FRorris
FRosmanthus
FRpatchouli
FRpine forest
FL/FRpine needle
FL/FRpine scotch pine
FRpinion
FRredwood
FRsage
FRsandalwood
FRspikenard oil replacer
FRspruce
FRsweet grass
FL/FRtansy oil replacer
FL/FRtarragon oil replacer
FLtea black tea
 timber
FRtolu balsam
FL/FRvalerian
FRvetiver
FRwoody
FRwormseed oil replacer
 
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
 castoreum
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
 
Synonyms:
 dihydropinocarvone
3-pinanone
2,6,6-trimethyl bicyclo(3.1.1)heptan-3-one
2,6,6-trimethylbicyclo[2.2.1]heptan-3-one
 

Articles:

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].
PubMed:[PREPARATION OF (-)4-HYDROXYMETHYLENE-3-PINANONE].
 
Notes:
Used as a food additive [EAFUS]
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