| Identification | Back Directory | [Name]
3-(Methylthio)hexyl acetate | [CAS]
51755-85-2 | [Synonyms]
FEMA 3789
lychee mercaptan acetate
(METHYLTHIO)HEXYL ACETATE
3-(METHYLTHIO)HEXYL ACETATE
3-METHYLTHIO-1-HEXYL ACETATE
3-(METHYLTHIO)HEX-1-YL ACETATE
3-(Methylsulfanyl)hexyl acetate
1-HEXANOL, 3-(METHYLTHIO)-, ACETATE
acetic acid 3-(methylthio)hexyl ester
1-Hexanol, 3-(methylthio)-, 1-acetate
3-(Methylthio)hexyl acetate >=97%, FG
3-(Methylthio)hexyl acetate USP/EP/BP | [Molecular Formula]
C9H18O2S | [MDL Number]
MFCD00236623 | [MOL File]
51755-85-2.mol | [Molecular Weight]
190.3 |
| Chemical Properties | Back Directory | [Boiling point ]
216 °C | [density ]
0.982 | [FEMA ]
3789 | 3-(METHYLTHIO)HEXYL ACETATE | [refractive index ]
1.4640 | [Fp ]
76 °C | [Odor]
at 0.10 % in dipropylene glycol. sulfury green spicy vegetable tropical | [biological source]
synthetic | [Odor Type]
sulfurous | [JECFA Number]
481 | [Major Application]
flavors and fragrances | [InChI]
InChI=1S/C9H18O2S/c1-4-5-9(12-3)6-7-11-8(2)10/h9H,4-7H2,1-3H3 | [InChIKey]
VIQXICKUKPVFRK-UHFFFAOYSA-N | [SMILES]
C(OC(=O)C)CC(SC)CCC | [LogP]
2.71 | [NIST Chemistry Reference]
3-(Methylthio)hexyl acetate(51755-85-2) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
38 | [Safety Statements ]
26-36 | [RIDADR ]
UN 3334 | [WGK Germany ]
3 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Skin Irrit. 2 |
| Hazard Information | Back Directory | [Occurrence]
Reported found in yellow passion fruit | [Uses]
flavors and fragrances | [Definition]
ChEBI: (S)-3-Methylthiohexyl acetate is a carboxylic ester. | [Aroma threshold values]
Aroma characteristics at 1.0%: sulfurous, green, spicy, pungent and vegetative with a tropical nuance. | [Taste threshold values]
Taste characteristics: sulfurous, tropical, biting, vegetative and fruity |
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