ethyl (R)-2-hydroxy-4-methyl pentanoate
D-ethyl leucate
 
Notes:
None found
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      60856-83-9 Ethyl 2-Hydroxy-4-Methylvalerate
       
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CAS Number: 60856-83-9Picture of molecule3D/inchi
FDA UNII: Y39C7U1A75
Nikkaji Web: J84.205B
XlogP3-AA: 1.60 (est)
Molecular Weight: 160.21312000
Formula: C8 H16 O3
NMR Predictor: Predict (works with chrome or firefox)
Category: 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
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 197.40 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.097000 mmHg @ 25.00 °C. (est)
Flash Point: 165.00 °F. TCC ( 74.00 °C. ) (est)
logP (o/w): 1.333 (est)
Soluble in:
 alcohol
 water, 2.019e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: fruity
 
 fresh  blackberry  
Odor Description:
at 100.00 %. 
fresh blackberry
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
Ethyl 2-Hydroxy-4-Methylvalerate
Santa Cruz Biotechnology
For experimental / research use only.
(R)-(+)-Ethyl Leucate
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Safety Information:
Preferred SDS: View
 
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: fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
Recommendation for ethyl (R)-2-hydroxy-4-methyl pentanoate flavor usage levels up to:
 not for flavor use.
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Safety References:
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 : 10909860
National Institute of Allergy and Infectious Diseases: Data
 ethyl (2R)-2-hydroxy-4-methylpentanoate
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References:
Leffingwell: Chirality or Article
 ethyl (2R)-2-hydroxy-4-methylpentanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 10909860
Pubchem (sid): 77004849
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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
HMDB (The Human Metabolome Database): Search
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
balsamic
 pine needle absoluteFL/FR
berry
wild berry fragranceFR
 berry fragranceFR
 blackberry infusionsFL/FR
 blackberry specialtyFR
 blueberry fragranceFR
 blueberry infusionsFL/FR
 blueberry specialtyFR
 boysenberry fragranceFR
black currant fragranceFR
 currant fragranceFR
red currant fragranceFR
black currant infusionsFL/FR
 gooseberry fragranceFR
 huckleberry fragranceFR
 loganberry fragranceFR
 loganberry specialtyFR
 lycium barbarum fruit absoluteFR
 methyl beta-ionyl acetateFR
 mulberry fragranceFR
 raspberry essenceFL/FR
 raspberry fragranceFR
black raspberry fragranceFR
 raspberry infusionsFL/FR
 raspberry specialtyFR
 rubus fruticosus fruit extractFL/FR
camphoreous
3-benzylidene-2-butanoneFL/FR
beta-homocyclocitralFL/FR
ethereal
 propyl formateFL/FR
fermented
 valeraldehydeFL/FR
floral
 dihydro-alpha-iononeFL/FR
beta-iononeFL/FR
 rose carboxylateFR
(E)-2-undecen-1-olFL/FR
fruity
 artemisia pallens herb oilFL/FR
3-benzyl-4-heptanoneFL/FR
 berry pentadienoateFL/FR
 blackberry essenceFL/FR
 blackberry fragranceFR
 blackberry vanilla fragranceFR
 blueberry essenceFL/FR
 boysenberry essenceFL/FR
 butyl hexanoateFL/FR
 cherry berry fragranceFR
 cherry fragranceFR
black cherry fragranceFR
red currant essenceFL/FR
black currant essenceFL/FR
 cyclohexyl isovalerateFL/FR
 davana oil replacerFR
 dihydroactinidolideFL/FR
1,4-dimethyl bicyclo(3.2.1)octan-3-dioxolaneFR
 etaspireneFR
 ethyl (S)-2-hydroxy-4-methyl pentanoateFR
 ethyl 2-hydroxy-4-methyl valerateFR
 ethyl methyl-para-tolyl glycidateFL/FR
 filbert hexenoneFL/FR
 fruit specialtyFR
 heliotropyl isobutyrateFL/FR
beta-ionone epoxideFL/FR
 maltyl butyrateFL/FR
3-mercaptohexyl acetateFL/FR
 methyl 2-methyl valerateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
3-nonen-2-oneFL/FR
red raspberry essenceFL/FR
black raspberry essenceFL/FR
 raspberry fruit oilFR
 ribes nigrum fruit extractFL/FR
 ribes rubrum fruit extractFL/FR
isospireneFR
 strawberry glycidate 2FL/FR
 strawberry infusionFL/FR
 styralyl butyrateFL/FR
 tropical trithianeFL/FR
green
black currant bud absolute replacerFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(2-methoxy-1-methyl butyl) benzeneFR
 thiogeraniolFL/FR
2,4,8-trimethyl-5-oxatricyclo(6.2.1.0*2,6*)undecaneFR
herbal
 barosma betulina leaf oilFL/FR
 cuminyl acetateFL/FR
mentholic
 menthyl acetate racemicFL/FR
soapy
 ambrettolideFL/FR
spicy
black currant bud absoluteFL/FR
sulfurous
 blackberry thiophenoneFL/FR
waxy
(E)-2-octen-1-yl butyrateFL/FR
 
For Flavor
 
No flavor group found for these
3-benzylidene-2-butanoneFL/FR
 blackberry thiophenoneFL/FR
 cuminyl acetateFL/FR
 dihydroactinidolideFL/FR
beta-ionone epoxideFL/FR
 menthyl acetate racemicFL/FR
(E)-2-octen-1-yl butyrateFL/FR
 pine needle absoluteFL/FR
(E)-2-undecen-1-olFL/FR
berry
 blackberry infusionsFL/FR
 blueberry essenceFL/FR
 blueberry infusionsFL/FR
black currant infusionsFL/FR
 dihydro-alpha-iononeFL/FR
 maltyl butyrateFL/FR
 raspberry essenceFL/FR
 raspberry infusionsFL/FR
 rubus fruticosus fruit extractFL/FR
cooling
beta-homocyclocitralFL/FR
fruity
 artemisia pallens herb oilFL/FR
3-benzyl-4-heptanoneFL/FR
 berry pentadienoateFL/FR
 blackberry essenceFL/FR
 boysenberry essenceFL/FR
 butyl hexanoateFL/FR
black currant bud absolute replacerFL/FR
red currant essenceFL/FR
black currant essenceFL/FR
 cyclohexyl isovalerateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 filbert hexenoneFL/FR
 heliotropyl isobutyrateFL/FR
 methyl 2-methyl valerateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
 propyl formateFL/FR
black raspberry essenceFL/FR
red raspberry essenceFL/FR
 ribes nigrum fruit extractFL/FR
 ribes rubrum fruit extractFL/FR
 strawberry glycidate 2FL/FR
 strawberry infusionFL/FR
 styralyl butyrateFL/FR
 tropical trithianeFL/FR
green
(Z)-3-hexen-1-yl propionateFL/FR
 thiogeraniolFL/FR
herbal
 barosma betulina leaf oilFL/FR
oily
3-nonen-2-oneFL/FR
soapy
 ambrettolideFL/FR
spicy
black currant bud absoluteFL/FR
tropical
3-mercaptohexyl acetateFL/FR
winey
 valeraldehydeFL/FR
woody
beta-iononeFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 found in nature
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Synonyms:
 ethyl (2R)-2-hydroxy-4-methylpentanoate
 ethyl (R)-2-hydroxy-4-methylpentanoate
 ethyl D-leucate
(R)-(+)-ethyl leucate
D-ethyl leucate
dextro-ethyl leucate
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