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

isopropyl sorbate
2,4-hexadienoic acid, 1-methylethyl ester

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Name:propan-2-yl hexa-2,4-dienoate
CAS Number: 44987-75-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:256-175-0
FDA UNII: Search
Nikkaji Web:J319.938J
XlogP3-AA:2.40 (est)
Molecular Weight:154.20898000
Formula:C9 H14 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:antimicrobial 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: 200.00 to 201.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.332000 mmHg @ 25.00 °C. (est)
Flash Point: 175.00 °F. TCC ( 79.60 °C. ) (est)
logP (o/w): 2.740 (est)
Soluble in:
 water, 286 mg/L @ 25 °C (est)
Insoluble in:
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: antimicrobial agents
BOC Sciences
For experimental / research use only.
isoPropyl hexa-2,4-dienoate
Safety Information:
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:
antimicrobial agents
Recommendation for isopropyl sorbate usage levels up to:
 not for fragrance use.
Recommendation for isopropyl sorbate 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 :5368972
National Institute of Allergy and Infectious Diseases:Data
propan-2-yl hexa-2,4-dienoate
 propan-2-yl hexa-2,4-dienoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):5368972
Pubchem (sid):135212520
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:2916.19.4000
Potential Blenders and core components note
None Found
Potential Uses:
 antimicrobial agents
Occurrence (nature, food, other):note
 not found in nature
2,4-hexadienoic acid 1-methylethyl ester
2,4-hexadienoic acid, 1-methylethyl ester
 propan-2-yl hexa-2,4-dienoate
isopropyl hexa-2,4-dienoate
None found
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