cis-3-Hexenyl lactate

Base Information

• Chemical Name: cis-3-Hexenyl lactate
• CAS No.: 61931-81-5
• Molecular Formula: C9H16 O3
• Molecular Weight: 172.22
• Hs Code.: 2918110000
• European Community (EC) Number: 263-337-4
• UNII: 55ET6N4SAG
• DSSTox Substance ID: DTXSID20886469
• Nikkaji Number: J150.772I
• Wikidata: Q27261305
• Metabolomics Workbench ID: 47272
• Mol file: 61931-81-5.mol

Synonyms:cis-3-Hexenyl lactate;61931-81-5;(Z)-Hex-3-en-1-yl 2-hydroxypropanoate;[(Z)-hex-3-enyl] 2-hydroxypropanoate;(Z)-Hex-3-enyl lactate;3-Hexenyl lactate, (Z)-;cis-3-Hexenyllactate;FEMA No. 3690;(Z)-3-Hexenyl lactate;3-Hexenyl lactate, cis-;Propanoic acid, 2-hydroxy-, (3Z)-3-hexenyl ester;3-Hexenyl 2-hydroxypropanoate, cis-;Lactic Acid cis-3-Hexen-1-yl Ester;3-Hexenyl lactate, (3Z)-;cis-3-Hexenyl lactate (natural);Propanoic acid, 2-hydroxy-, 3-hexenyl ester, (Z)-;EINECS 263-337-4;UNII-55ET6N4SAG;55ET6N4SAG;Propanoic acid, 2-hydroxy-, (3Z)-3-hexen-1-yl ester;AI3-35962;(3Z)-hex-3-en-1-yl 2-hydroxypropanoate;Lactic acid cis-3-hexenyl ester;3Z-Hexenyl Lactate;Cis 3 Hexenyl Lactate;|cis|-3-Hexenyl lactate;(3Z)-3-hexenyl lactate;cis-3-Hexen-1-yl Lactate;(z)-3-hexen-1-yl lactate;SCHEMBL873161;FEMA 3690;NNLLMULULOBXBY-PLNGDYQASA-;DTXSID20886469;CHEBI:171942;NNLLMULULOBXBY-PLNGDYQASA-N;(Z) - hex - 3 - enyl lactate;MFCD00036495;CIS-3-HEXENYL LACTATE [FHFI];cis-3-Hexenyl lactate, >=98%, FG;cis-3-Hexenyl Lactate, No Antioxidant;(3Z)-3-Hexenyl 2-hydroxypropanoate #;(+/-)-(Z)-3-HEXENYL LACTATE;AS-63425;LS-179860;L0108;cis-3-Hexenyl lactate, natural, >=97%, FG;A868596;Q27261305;InChI=1/C9H16O3/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5,8,10H,3,6-7H2,1-2H3/b5-4-

Chemical Property of cis-3-Hexenyl lactate

Chemical Property:

• Appearance/Colour: colorless liquid
• Vapor Pressure: 0.00345mmHg at 25°C
• Refractive Index: n20/D 1.446(lit.)
• Boiling Point: 71 ºC (0.7 mmHg)
• PKA: 13.03±0.20(Predicted)
• Flash Point: >110 ºC
• PSA: 46.53000
• Density: 0.982
• LogP: 1.26670
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 172.109944368
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

99% ^*data from raw suppliers

cis-3-Hexen-1-yl Lactate >96.0%(GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC=CCCOC(=O)C(C)O
• Isomeric SMILES: CC/C=C\CCOC(=O)C(C)O
• Description: cis-3-Hexenyl lactate has a fruity-green odor.