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

ethyl 2-hydroxy-4-methyl valerate
DL-leucic acid ethyl ester

Sponsors

Name:ethyl 2-hydroxy-4-methylpentanoate
CAS Number: 10348-47-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:233-760-9
Nikkaji Web:J146.979G
MDL:MFCD11975417
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
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 185.00 to 186.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.097000 mm/Hg @ 25.00 °C. (est)
Flash Point: 165.00 °F. TCC ( 74.00 °C. ) (est)
logP (o/w): 1.333 (est)
Shelf Life: 6.00 month(s) or longer if stored properly.
Storage:refrigerate in tightly sealed containers.
Soluble in:
 alcohol
 water, 2.019e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium
fresh blackberry
Odor Description:at 100.00 %. fresh blackberry
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Ethyl 2-hydroxy-4-methylvalerate 95%
Sigma-Aldrich: Aldrich
For experimental / research use only.
Ethyl 2-hydroxy-4-methyl Valerate
TCI AMERICA
For experimental / research use only.
Ethyl DL-Leucate >98.0%(GC)
 
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
 
Safety in Use Information:
Category: fragrance agents
 
Recommendation for ethyl 2-hydroxy-4-methyl valerate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :112030
National Institute of Allergy and Infectious Diseases:Data
ethyl 2-hydroxy-4-methylpentanoate
Chemidplus:0010348477
 
References:
Leffingwell:Chirality or Article
 ethyl 2-hydroxy-4-methylpentanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:10348-47-7
Pubchem (cid):112030
Pubchem (sid):135069008
 
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):HMDB59867
Export Tariff Code:2916.39.7900
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
berry
blackberry infusions
FL/FR
blackberry specialty
FR
rubus fruticosus fruit extract
FL/FR
fruity
blackberry essence
FL/FR
blackberry fragrance
FR
ethyl (R)-2-hydroxy-4-methyl pentanoate
FR
ethyl (S)-2-hydroxy-4-methyl pentanoate
FR
3-
mercaptohexyl acetate
FL/FR
tropical trithiane
FL/FR
spicy
black
currant bud absolute
FL/FR
sulfurous
blackberry thiophenone
FL/FR
For Flavor
No flavor group found for these
blackberry thiophenone
FL/FR
berry
berry
blackberry infusions
FL/FR
rubus fruticosus fruit extract
FL/FR
fruity
blackberry essence
FL/FR
tropical trithiane
FL/FR
spicy
black
currant bud absolute
FL/FR
tropical
3-
mercaptohexyl acetate
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 cognac
Search PMC Picture
 truffle black truffle
Search PMC Picture
 wine
Search Picture
 
Synonyms:
 ethyl 2-hydroxy-4-methylpentanoate
 ethyl 2-hydroxy-4-methylvalerate
 ethyl dextro,laevo-leucate
 ethyl DL-2-Hydroxy-4-methylvalerate
 ethyl DL-leucate
dextro,laevo-ethyl leucate
DL-ethyl leucate
2-hydroxy-4-methyl pentanoic acid ethyl ester
DL-2-hydroxy-4-methylvaleric acid ethyl ester
DL-leucic acid ethyl ester
 pentanoic acid, 2-hydroxy-4-methyl-, ethyl ester
 

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Notes:
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