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2-pentenoic acid, 2,4-dimethyl-, ethyl ester, (2E)-

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Fragrance Demo Formulas
Name:ethyl (E)-2,4-dimethylpent-2-enoate
CAS Number: 21016-46-6Picture of molecule3D/inchi
Nikkaji Web:J2.427.613I
XlogP3-AA:2.40 (est)
Molecular Weight:156.22492000
Formula:C9 H16 O2
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
Perfumer and Flavorist: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: 187.00 to 188.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.617000 mmHg @ 25.00 °C. (est)
Flash Point: 149.00 °F. TCC ( 65.50 °C. ) (est)
logP (o/w): 3.279 (est)
Soluble in:
 water, 164.4 mg/L @ 25 °C (est)
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
Ethyl (e)-2,4-dimethyl-2-pentenoate
Robinson Brothers
2,4-Dimethyl-2-pentenoic acid F&F
Santa Cruz Biotechnology
For experimental / research use only.
2,4-Dimethyl-2-pentenoic acid
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
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 caryolan-1-ol flavor usage levels up to:
 not for flavor use.
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):21016-46-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12550535
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
ethyl (E)-2,4-dimethylpent-2-enoate
 ethyl (E)-2,4-dimethylpent-2-enoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):12550535
Pubchem (sid):135263319
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):Search
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 not found in nature
 ethyl (2E)-2,4-dimethyl-2-pentenoate
 ethyl (2E)-2,4-dimethylpent-2-enoate
 ethyl (E)-2,4-dimethylpent-2-enoate
2-pentenoic acid, 2,4-dimethyl-, ethyl ester, (2E)-
None found
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