ethyl 2-hydroxy-4-methyl valerate
DL-leucic acid ethyl ester
 
Notes:
None found
  • BOC Sciences
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      Product(s):
      10348-47-7 Ethyl 2-hydroxy-4-methylvalerate 95%
       
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    • TCI AMERICA
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      Product(s):
      E0802 Ethyl DL-Leucate >98.0%(GC)
       
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CAS Number: 10348-47-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 233-760-9
FDA UNII: 3M5TB4Z168
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
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: 185.00 to  186.00 °C. @ 760.00 mm Hg
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)
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
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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 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)
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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 2-hydroxy-4-methyl valerate 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 : 112030
National Institute of Allergy and Infectious Diseases: Data
 ethyl 2-hydroxy-4-methylpentanoate
Chemidplus: 0010348477
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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
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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): HMDB59867
Export Tariff Code: 2916.39.7900
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
berry
 blackberry infusionsFL/FR
 blackberry specialtyFR
 rubus fruticosus fruit extractFL/FR
fruity
 blackberry essenceFL/FR
 blackberry fragranceFR
 ethyl (R)-2-hydroxy-4-methyl pentanoateFR
 ethyl (S)-2-hydroxy-4-methyl pentanoateFR
3-mercaptohexyl acetateFL/FR
 tropical trithianeFL/FR
spicy
black currant bud absoluteFL/FR
sulfurous
 blackberry thiophenoneFL/FR
 
For Flavor
 
No flavor group found for these
 blackberry thiophenoneFL/FR
berry
 blackberry infusionsFL/FR
 rubus fruticosus fruit extractFL/FR
fruity
 blackberry essenceFL/FR
 tropical trithianeFL/FR
spicy
black currant bud absoluteFL/FR
tropical
3-mercaptohexyl acetateFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 cognac
Search  PMC Picture
 truffle black truffle
Search  PMC Picture
 wine
Search  Picture
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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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