carvyl isovalerate
2-methyl-5-(1-methyl vinyl)-2-cyclohexen-1-yl isovalerate
 
Notes:
None found
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(2-methyl-5-prop-1-en-2-yl-1-cyclohex-2-enyl) 3-methylbutanoate (Click)
CAS Number: 94386-39-7Picture of molecule
ECHA EINECS - REACH Pre-Reg: 305-261-7
Nikkaji Web: J382.773I
XlogP3-AA: 3.90 (est)
Molecular Weight: 236.35468000
Formula: C15 H24 O2
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: According to EFFA: Mixture of the four stereoisomeric forms (RR, RS, SR and SS) in relatively equal ratios (approximately 25 % of each) (EFFA, 2010a).
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: 09.870 (Old)
DG SANTE Food Flavourings: 09.870  carvyl-3-methylbutyrate
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Physical Properties:
Assay: 95.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 0.93200 to 0.93800 @  25.00 °C.
Pounds per Gallon - (est).: 7.755 to  7.805
Refractive Index: 1.46200 to 1.46800 @  20.00 °C.
Boiling Point: 343.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.001000 mm/Hg @ 25.00 °C. (est)
Flash Point: 258.00 °F. TCC ( 125.56 °C. )
logP (o/w): 4.731 (est)
Soluble in:
 alcohol
 water, 0.3854 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
  
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
Carvyl Isovalerate
Inoue Perfumery
CARVYL ISOVALERATE
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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: flavor and fragrance agents
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1000 (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): 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
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 212: alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.6 of FGE.19
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Flavouring Group Evaluation 9, Revision 2 (FGE.09Rev2): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 212 Revision 1 (FGE.212Rev1): alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.6 of FGE.19.
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 9, Revision 3 (FGE.09Rev3): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 9, Revision 4 (FGE.09Rev4): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 9, Revision 5 (FGE.09Rev5): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 212 Revision 3 (FGE.212Rev3): a,-unsaturated alicyclic ketones and precursors from chemical subgroup 2.6 of FGE.19
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 9, Revision 6 (FGE.09Rev6): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 216439
National Institute of Allergy and Infectious Diseases: Data
 (2-methyl-5-prop-1-en-2-yl-1-cyclohex-2-enyl) 3-methylbutanoate
Chemidplus: 0094386397
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References:
 (2-methyl-5-prop-1-en-2-yl-1-cyclohex-2-enyl) 3-methylbutanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 94386-39-7
Pubchem (cid): 216439
Pubchem (sid): 135134639
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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
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 carvyl 3-methyl butyrate
 carvyl 3-methylbutyrate
 carvyl isopentanoate
 carvyl-3-methyl butyrate
 carvyl-3-methylbutyrate
p-mentha-6,8-dienyl-2-methyl butanoate
para-mentha-6,8-dienyl-2-methyl butanoate
p-mentha-6,8-dienyl-2-methylbutanoate
2-methyl-5-(1-methyl vinyl)-2-cyclohexen-1-yl isovalerate
2-methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl isovalerate
(2-methyl-5-prop-1-en-2-yl-1-cyclohex-2-enyl) 3-methylbutanoate
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