4-hexenoic acid
hex-4-enoic acid
 
Notes:
None found
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CAS Number: 35194-36-6Picture of molecule3D/inchi
Beilstein Number: 1720995
MDL: MFCD00041036
XlogP3-AA: 1.10 (est)
Molecular Weight: 114.14410000
Formula: C6 H10 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 203.00 to  204.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.111000 mmHg @ 25.00 °C. (est)
Flash Point: 214.00 °F. TCC ( 101.40 °C. ) (est)
logP (o/w): 1.493 (est)
Soluble in:
 alcohol
 water, 7069 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Santa Cruz Biotechnology
For experimental / research use only.
4-Hexenoic acid, cis + trans
Sigma-Aldrich: Aldrich
For experimental / research use only.
4-Hexenoic Acid
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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
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Safety in Use Information:
Category: natural substances and extractives
Recommendation for 4-hexenoic acid usage levels up to:
 not for fragrance use.
 
Recommendation for 4-hexenoic acid flavor usage levels up to:
 not for flavor use.
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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 : 101384
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 hex-4-enoic acid
Chemidplus: 0035194366
RTECS: GU2292000 for cas# 35194-36-6
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References:
 hex-4-enoic acid
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 101384
Pubchem (sid): 75008966
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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): Search
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 wine blood orange wine
Search  Picture
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Synonyms:
 hex-4-enoic acid
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Articles:
PubMed: Degradation of ascorbic acid and potassium sorbate by different Lactobacillus species isolated from packed green olives.
PubMed: [Analysis of head volatile constituents of Polyonum cuspidatum flower by HS-GC/MS].
PubMed: Biodegradation of malachite green by Brevibacillus laterosporus MTCC 2298.
PubMed: Modeling deoxyribose radicals by neutralization-reionization mass spectrometry. Part 1. Preparation, dissociations, and energetics of 2-hydroxyoxolan-2-yl radical, neutral isomers, and cations.
PubMed: Chiral N-alkyl-2,4,6-triphenylpyridiniums as enantioselective triplet photosensitizers. laser flash photolysis and preparative studies.
PubMed: Determination of mycophenolic acid and mycophenolate mofetil by high-performance liquid chromatography using postcolumn derivatization.
PubMed: Determination of major aroma impact compounds in fermented cucumbers by solid-phase microextraction--gas chromatography--mass spectrometry--olfactometry detection.
PubMed: Simple and sensitive high-performance liquid chromatographic.
PubMed: Biosynthesis of the unusual amino acid (4R)-4-[(E)-2-butenyl]-4-methyl-L-threonine of cyclosporin A: enzymatic analysis of the reaction sequence including identification of the methylation precursor in a polyketide pathway.
PubMed: Synthesis and modeling studies with monocyclic analogues of mycophenolic acid.
PubMed: Pharmacological characterization of potent, long-acting thromboxane receptor antagonists, SQ 33,261 and SQ 33,552.
PubMed: Fungal metabolites of sorbic acid.
PubMed: Chemotherapeutic potential of methionine analogue inhibitors of tumor-derived methionine adenosyltransferases.
PubMed: Metabolism of allylglycine and cis-crotylglycine by Pseudomonas putida (arvilla) mt-2 harboring a TOL plasmid.
PubMed: Chemical characterization of decomposition products of pyrazolidinedione-3,5 derivatives. Part 2: Chemical transformations of 4-prenyl-1,2-diphenyl-3,5-pyrazolidinedione (prenazone) and its main decomposition product N,N'-diphenylhydrazide-2-carboxy-5-methyl-4-hexenoic acid in sulphuric acid concentrated.
PubMed: Chemical characterization of decomposition products of pyrazolidinedione-3,5 derivatives. Part 1: Identification of decomposition products and mechanism of degradation of 4-prenyl-1,2-diphenyl-3,5-pyrazolidine-dione in an aqueous solution.
PubMed: Identification of 2-oxo-cis-4-hexenoic acid as a cleavage product in the microbiological degradation of steroids.
PubMed: L-2-AMINO-4-HEXENOIC ACID IN ILAMYCINS.
PubMed: [Effects of 2-(4-biphenylyl)-4-hexenoic acid (C.V. 57533) on the metabolism of lipids].
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