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laevo-menthyl phenyl acetate
benzene acetic acid (1R,2S,5R)-5-methyl-2-(1-methyl ethyl) cyclohexyl ester

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Name:[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-phenylacetate
CAS Number: 26171-78-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:247-498-8
Nikkaji Web:J219.556I
XlogP3-AA:5.20 (est)
Molecular Weight:274.40362000
Formula:C18 H26 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
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.99900 to 1.00500 @ 25.00 °C.
Pounds per Gallon - (est).: 8.313 to 8.363
Refractive Index:1.50000 to 1.50600 @ 20.00 °C.
Boiling Point: 210.00 to 215.00 °C. @ 34.00 mm Hg
Boiling Point: 94.00 to 95.00 °C. @ 0.25 mm Hg
Vapor Pressure:0.000026 mm/Hg @ 25.00 °C. (est)
Flash Point: 327.00 °F. TCC ( 164.10 °C. ) (est)
logP (o/w): 5.817 (est)
Soluble in:
 alcohol
 water, 0.1077 mg/L @ 25 °C (est)
Insoluble in:
 water
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(Z)-3-hexen-1-yl phenyl acetate
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nonyl phenyl acetate
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Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
[1R-(1alpha,2Beta,5alpha)]-p-menthyl phenylacetate
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:
oral-rat LD50 > 5000 mg/kg
(Moreno, 1982d)

oral-rat LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 373, 1988.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 373, 1988.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.50 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to: Flavouring Group Evaluation 14 (FGE.14): Phenethyl alcohol, aldehyde, esters, and related phenylacetic acid esters from chemical group 15 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 55 (FGE.55): Consideration of phenyl-substituted aliphatic alcohols and related aldehydes and esters evaluated by JECFA (63rd meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives evaluated by EFSA in FGE.15 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 53 (FGE.53): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and one phenoxyethyl ester evaluated in FGE.23 (2006) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 14, Revision 1 (FGE.14Rev1): Phenethyl alcohol, aldehyde, acetals, carboxylic acid and related esters from chemical group 15 and 22 [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 53, Revision 1 (FGE.53Rev1): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) FGE.23Rev1 (2008)
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):26171-78-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :9993505
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-phenylacetate
Chemidplus:0026171788
 
References:
 [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-phenylacetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:26171-78-8
Pubchem (cid):9993505
Pubchem (sid):135058733
 
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
Export Tariff Code:2916.35.1500
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 benzene acetic acid (1R,2S,5R)-5-methyl-2-(1-methyl ethyl) cyclohexyl ester
 benzeneacetic acid (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexylester
(1R,3S,4R)-(-)-menthol phenyl acetate
(-)-menthyl phenyl acetate
(1R-(1alpha, 2beta,5alpha))-para-menthyl phenyl acetate
L-menthyl phenyl acetate
(-)-menthyl phenylacetate
(1R-(1alpha, 2beta,5alpha))-p-menthyl phenylacetate
L-menthyl phenylacetate
laevo-menthyl phenylacetate
(1R-(1,2,5))-5-methyl-2-(1-methyl ethyl) cyclohexyl phenyl acetate
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-phenylacetate
 phenyl acetic acid (-)-menthyl ester
 phenylacetic acid (-)-menthyl ester
 phenylacetic acid, (-)-menthyl ester
L-2-isopropyl-5-methyl cyclohexyl phenyl acetate
laevo-2-isopropyl-5-methyl cyclohexyl phenyl acetate
L-2-isopropyl-5-methylcyclohexyl phenylacetate
laevo-2-isopropyl-5-methylcyclohexyl phenylacetate
 
 
Notes:
None found
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