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ethyl 2-hydroxy-4-methyl valerate

Chemical Structure

General Material Information

Preferred name ethyl 2-hydroxy-4-methyl valerate
Trivial Name Ethyl 2-hydroxy-4-methylpentanoate
Short Description DL-leucic acid ethyl ester
Formula C8 H16 O3
CAS Number 10348-47-7
ECHA Number 233-760-9
FDA UNII 3M5TB4Z168
Nikkaji Number J146.979G
MDL MFCD11975417
xLogP3-AA 1.60 (est)
NMR Predictor External link
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
  • Valeric acid, 2-hydroxy-4-methyl-, ethyl ester
  • Ethyl 2-hydroxyisocaproate
  • Ethyl 2-hydroxy-iso-hexanoate
  • Ethyl leucate

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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

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 160.21311950684
Boiling Point 185 to 186°C @ 760 mm Hg
Vapor Pressure 0.097 mmHg @ 25 °C
Flash Point TCC Value 74 °C TCC
logP (o/w) 1.333 est
Shelf life 6 months (or longer if stored properly.)
Storage notes Refrigerate in tightly sealed containers.
Solubility
alcohol Yes
water, 2.019e+004 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
fresh, blackberry
General comment At 100.00 %. fresh blackberry

Occurrences

Safety Information

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
RIFM Fragrance Material Safety Assessment: Search
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.

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