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ethyl 2-methyl-2-pentenoate

Chemical Structure

General Material Information

Preferred name ethyl 2-methyl-2-pentenoate
Trivial Name Ethyl 2-methyl-2-pentenoate
Short Description 2-methyl-2-pentenoic acid ethyl ester
Formula C8 H14 O2
CAS Number 58625-96-0
ECHA Number 261-367-2
FDA UNII Q01A9HRA5X
Nikkaji Number J296.989K
xLogP3-AA 2.10 (est)
NMR Predictor External link
Synonyms
  • ethyl 2-methyl pent-2-en-1-oate
  • ethyl 2-methylpent-2-enoate
  • ethyl-2-methyl-2-pentenoate
  • 2-methyl-2-pentenoic acid ethyl ester
  • 2-Pentenoic acid, 2-methyl-, ethyl ester

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

ethyl 2-methylpent-2-enoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:58625-96-0
Pubchem (cid):6436311
Pubchem (sid):135032530
Publications by US Patents
7,927,643 - Compositions of oxo-terpene derivatives and process for preparing the same

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
Export Tariff Code:2916.19.6000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 142.19798278809
Specific gravity @ 25 °C
Pounds per Gallon 7.489 to 7.655
Refractive Index 1.429 to 1.449 @ 20 °C
Boiling Point 171 to 172°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 1.39 mmHg @ 25 °C
Vapor Density 1
Flash Point TCC Value 65.56 °C TCC
logP (o/w) 2.931 est
Shelf life 48 months (or longer if stored properly.)
Solubility
alcohol Yes
water, 430.2 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Jammy
sweet, berry, rummy, jammy
General comment At 100.00 %. sweet jammy berry rum
Used as an enhancer for fruity fragrances. A sweet berry-like odor with rum note

Potential Uses

Applications
Odor purposes Fruit
Flavoring purposes Tropical

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-methyl-2-pentenoate usage levels up to:
5.0000 % in the fragrance concentrate.
Recommendation for ethyl 2-methyl-2-pentenoate flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):58625-96-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6436311
National Institute of Allergy and Infectious Diseases:Data
ethyl 2-methylpent-2-enoate
Chemidplus:0058625960