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51755-85-2

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Basic Information
CAS No.: 51755-85-2
Name: 3-(Methylthio)hexyl acetate
Molecular Structure:
Molecular Structure of 51755-85-2 (3-(Methylthio)hexyl acetate)
Formula: C9H18O2S
Molecular Weight: 190.30
Synonyms: 1-Hexanol,3-(methylthio)-, acetate (9CI);3-(Methylthio)hexyl acetate;3-Methylthio hexyl acetate;
Density: 0.976 g/cm3
Boiling Point: 256.9 °C at 760 mmHg
Flash Point: 106.8 °C
Hazard Symbols: IrritantXi
Risk Codes: R38
Safety: 26-36
PSA: 51.60000
LogP: 2.47130
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    3-Methylthiohexyl acetate

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    3-(Methylthio)-1-Hexyl Acetate

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    3-(Methylthio)-1-hexyl acetate

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    51755-85-2

    3-(Methylthio)-1-hexyl acetate

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Chemistry

Molecular Structure of 3-(Methylthio)hexyl acetate (CAS NO.51755-85-2):

IUPAC Name: 3-Methylsulfanylhexyl acetate 
Molecular Formula: C9H18O2S
Molecular Weight: 190.30
XLogP3-AA: 2.4
H-Bond Donor: 0
H-Bond Acceptor: 2 
Index of Refraction: 1.46
Molar Refractivity: 53.47 cm3
Molar Volume: 194.9 cm3
Surface Tension: 31.8 dyne/cm
Density: 0.976 g/cm3
Flash Point: 106.8 °C
Enthalpy of Vaporization: 49.44 kJ/mol
Boiling Point: 256.9 °C at 760 mmHg
Vapour Pressure: 0.015 mmHg at 25 °C  
Canonical SMILES: CCCC(CCOC(=O)C)SC
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
Product Categories: sulfide Flavor; Alphabetical Listings; Flavors and Fragrances; M-N

Safety Profile

Safety Information of 3-(Methylthio)hexyl acetate (CAS NO.51755-85-2):
Hazard Codes: IrritantXi
Risk Statements: 38 
R38:Irritating to skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.

Specification

 3-(Methylthio)hexyl acetate (CAS NO.51755-85-2), its Synonyms are 1-Hexanol, 3-(methylthio)-, acetate ; 3-(Methylthio)-1-hexyl acetate ; 3-(Methylthio)hex-1-yl acetate .