ChemicalBook--->CAS DataBase List--->61931-81-5

61931-81-5

61931-81-5 Structure

61931-81-5 Structure
IdentificationMore
[Name]

cis-3-Hexenyl lactate
[CAS]

61931-81-5
[Synonyms]

3-HEXENYL 2-HYDROXYPROPIONATE
C3 HEXENYL LACTATE
CIS-3-HEXEN-1-YL LACTATE
CIS-3-HEXENYL LACTATE
FEMA 3690
LACTIC ACID CIS-3-HEXEN-1-YL ESTER
(Z)-3-HEXENYL LACTATE
2-hydroxy-,3-hexenylester,(z)-propanoicaci
2-hydroxy-,3-hexenylester,(Z)-Propanoicacid
(Z)-hex-3-enyl lactate
CIS-3-HEXENYL LACTATE 98+%
LACTIC ACID CIS-3-HEXEN-1-YL ESTER 96+%
Propanoic acid, 2-hydroxy-, (3Z)-3-hexenyl ester
Propanoic acid,2-hydroxy-,3-hexenyl ester,(Z)-
CIS-3-HEXENYL LACTATE, NATURAL
2-Hydroxypropionic acid (Z)-3-hexenyl ester
[EINECS(EC#)]

263-337-4
[Molecular Formula]

C9H16O3
[MDL Number]

MFCD00036495
[Molecular Weight]

172.22
[MOL File]

61931-81-5.mol
Chemical PropertiesBack Directory
[Boiling point ]

71 °C0.7 mm Hg(lit.)
[density ]

0.982 g/mL at 25 °C(lit.)
[FEMA ]

3690
[refractive index ]

n20/D 1.446(lit.)
[Fp ]

>230 °F
[storage temp. ]

Store at room temperature, keep dry and cool
[pka]

13.03±0.20(Predicted)
[Specific Gravity]

0.984
[Appearance]

Colorless to light yellow Liquid
[Odor]

at 100.00 %. green leafy sweet melon waxy violet leaf tropical fruity
[biological source]

Mentha spicata L.
[Odor Type]

green
[JECFA Number]

934
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C9H16O3/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5,8,10H,3,6-7H2,1-2H3/b5-4-
[InChIKey]

NNLLMULULOBXBY-PLNGDYQASA-N
[SMILES]

[H]\C(CC)=C(/[H])CCOC(=O)C(C)O
[LogP]

1.52
[CAS DataBase Reference]

61931-81-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Cis-3-hexenyllactate(61931-81-5)
[EPA Substance Registry System]

61931-81-5(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[TSCA ]

TSCA listed
[HS Code ]

29181100
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Description]

cis-3-Hexenyl lactate has a fruity-green odor.
[Chemical Properties]

cis-3-Hexenyl lactate has a fruity-green odor
[Occurrence]

Reported found in brandy and grape
[Uses]

cis-3-Hexenyl lactate is a fragrance ingredient assessed for safety by the Research Institute for Fragrance Materials (RIFM)[1]. This compound occurs as a major volatile in apple juice and cider fermented with Williopsis saturnus strains[2].
[Definition]

ChEBI:Cis-3-Hexenyl lactate is a carboxylic ester.
[Taste threshold values]

Taste characteristics at 50 ppm: green, leafy, waxy with fruity, tropical nuances.
[References]

[1]Api, A., Belsito, D., Botelho, D., Bruze, M., Burton, G., Cancellieri, M., Chon, H., Dagli, M., Date, M., Dekant, W., Deodhar, C., Fryer, A., Jones, L., Joshi, K., Kumar, M., Lapczynski, A., Lavelle, M., Lee, I., Liebler, D., … Tokura, Y. (2022). RIFM fragrance ingredient safety assessment, cis-3-hexenyl lactate, CAS Registry Number 61931-81-5. Food and Chemical Toxicology, 167, 113242. https://doi.org/10.1016/j.fct.2022.113242
[2]Aung, M. T., Lee, P.-R., Yu, B., & Liu, S.-Q. (2014). Cider fermentation with three Williopsis saturnus yeast strains and volatile changes. Annals of Microbiology, 65(2), 921–928. https://doi.org/10.1007/s13213-014-0935-7
Spectrum DetailBack Directory
[Spectrum Detail]

cis-3-Hexenyl lactate(61931-81-5)MS
cis-3-Hexenyl lactate(61931-81-5)1HNMR
cis-3-Hexenyl lactate(61931-81-5)13CNMR
cis-3-Hexenyl lactate(61931-81-5)IR1
cis-3-Hexenyl lactate(61931-81-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

61931-81-5(sigmaaldrich)
[TCI AMERICA]

Lactic Acid cis-3-Hexen-1-yl Ester,>96.0%(GC)(61931-81-5)
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