CAS 1775-43-5 (Z)-3-Hexenoic acid (HCID 5355152)

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Basic information

CAS: 1775-43-5
Standard SMILES: CC/C=C\CC(=O)O
InChIKey: XXHDAWYDNSXJQM-ARJAWSKDSA-N
Molecular formula: C6H10O2
Average molar mass: 114.144 g/mol
Monoisotopic mass: 114.06807956

Names & identifiers

Preferred name: (Z)-3-Hexenoic acid
IUPAC: (3Z)-Hex-3-enoic acid
English name: cis-3-Hexenoic acid
Molecular formula: C6H10O2
Molecular weight: 114.14

Names & synonyms

(Z)-hex-2-enoic acid(Z)-3-Hexenoic acid(Z)-11-Octadecenyl acetateFEMA 3170C3 HEXENOIC ACIDcis-hex-3-enoicaciTIMTEC-BB SBB006610RARECHEM AL BE 0723(Z)-hex-3-enoicacidcis-3-Hexenoic acid

Database identifiers

CAS: 1775-43-5、4219-24-3
PubChem CID: 5355152
DTXSID: DTXSID20883579
ChEBI: CHEBI:49284
UNII: 86H58C39ZV
Nikkaji: J98.005F

Properties

Physicochemical properties

Boiling point: 106 · 106-110 °C (16 mmHg)
Density: 0.965 · 0.965
refractive index: 1.439 · 1.439-1.445
FEMA: 4493 · 4493 | CIS-3-HEXENOIC ACID
Flash point: 108 °C · 108 °C
storage temp.: Store at room temperature
pka: 4.51 · 4.51±0.10(Predicted)
Odor: 1 % · at 1.00 % in propylene glycol. green grass sweaty fruity cheesy acid
Appearance: Light yellow to yellow Liquid
Odor Type: green
JECFA Number: 2181 · 2181
InChI: InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3-
InChIKey: XXHDAWYDNSXJQM-ARJAWSKDSA-N
SMILES: C(O)(=O)C/C=C\CC
LogP: 1.6 · 1.60
Substances Added to Food (formerly EAFUS): -3 · CIS-3-HEXENOIC ACID
FDA UNII: 86 H58C39ZV · 86H58C39ZV
EPA Substance Registry System: 3 · 3-Hexenoic acid, (3Z)- (1775-43-5)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 45 · 45-36/37/39-25
TSCA: TSCA listed

Safety & regulation

Safety data

tsca: TSCA listed
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 45-36/37/39-25
Hazard statements: H314
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501

Chemistry & industry

Applications

Uses(3Z)-3-Hexenoic Acid is an unsaturated aliphatic acid used in the chemistry of flavors.

Upstream & downstream products

Upstream raw materials

Downstream products

(E)-4-Hexenoic acid trans-3-Hexenoic acid 3-Hexenoyl chloride, (3Z)-

Suppliers47 total

常州帝通化工有限公司+86-0519-88298848 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

Additional notes

DefinitionChEBI: A 3-hexenoic acid having the cis configuration.

Related reactions

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Compound notes

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