isopropyl sorbate
2,4-hexadienoic acid, 1-methylethyl ester
 
Notes:
None found
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propan-2-yl hexa-2,4-dienoate (Click)
CAS Number: 44987-75-9Picture of molecule
ECHA EINECS - REACH Pre-Reg: 256-175-0
Nikkaji Web: J319.938J
XlogP3-AA: 2.40 (est)
Molecular Weight: 154.20898000
Formula: C9 H14 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: antimicrobial agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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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: 200.00 to  201.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.332000 mm/Hg @ 25.00 °C. (est)
Flash Point: 175.00 °F. TCC ( 79.60 °C. ) (est)
logP (o/w): 2.740 (est)
Soluble in:
 alcohol
 water, 286 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: antimicrobial agents
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Suppliers:
BOC Sciences
For experimental / research use only.
isoPropyl hexa-2,4-dienoate
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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
 
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: 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.
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Safety References:
EPI System: View
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
Chemidplus: 0044987759
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References:
 propan-2-yl hexa-2,4-dienoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5368972
Pubchem (sid): 135212520
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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
CHEMBL: View
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2916.19.4000
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
 antimicrobial agents 
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
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
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Articles:
 None found yet.
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