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myrtenyl isovalerate
2-pinen-10-yl isovalerate

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Name:(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl 3-methylbutanoate
CAS Number: 33900-84-4Picture of molecule3D/inchi
Nikkaji Web:J430.608B
XlogP3-AA:3.40 (est)
Molecular Weight:236.35468000
Formula:C15 H24 O2
NMR Predictor:Predict (works with chrome or firefox)
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
FLAVIS Number:09.900 (Old)
DG SANTE Food Flavourings:09.900 myrtenyl-3-methylbutyrate
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.96700 to 0.97300 @ 25.00 °C.
Pounds per Gallon - (est).: 8.046 to 8.096
Refractive Index:1.47000 to 1.47600 @ 20.00 °C.
Boiling Point: 292.00 to 293.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.002000 mm/Hg @ 25.00 °C. (est)
Flash Point: 206.00 °F. TCC ( 96.67 °C. )
logP (o/w): 4.751 (est)
Soluble in:
 water, 1.001 mg/L @ 25 °C (est)
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(Z)-3-hexen-1-yl valerate
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hexyl valerate
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linalyl valerate
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Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.061 (μg/capita/day)
Structure Class: I
 
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):

Scientific Opinion on Flavouring Group Evaluation 208 Revision 1 (FGE.208Rev1): Consideration of genotoxicity data on representatives for 10 alicyclic aldehydes with the a,-unsaturation in ring / side-chain and precursors from chemical subgroup 2.2 of
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 208 Revision 2 (FGE.208Rev2): Consideration of genotoxicity data on alicyclic aldehydes with a,-unsaturation in ring/side-chain and precursors from chemical subgroup 2.2 of FGE.19
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 208 Revision 3 (FGE.208Rev3): consideration of genotoxicity data on alicyclic aldehydes with a,-unsaturation in ring/side-chain and precursors from chemical subgroup 2.2 of FGE.19
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5319992
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl 3-methylbutanoate
 
References:
 (6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl 3-methylbutanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):5319992
Pubchem (sid):10544987
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 valerian root oil @ 1.6-10.5%
Data GC Search Trop Picture
 
Synonyms:
(6,6-dimethyl bicyclo(3.1.1)hept-2-enyl) methyl isopentanoate
(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl 3-methylbutanoate
 myrtenyl 3-methyl butyrate
 myrtenyl 3-methylbutyrate
L-myrtenyl isovalerate
laevo-myrtenyl isovalerate
 myrtenyl-3-methylbutyrate
2-pinen-10-yl isovalerate
 

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