Acetic acid, 2-(methylthio)-, butyl ester supplier

Name
Butyl (methylthio)acetate
EINECS 266-987-7
CAS No. 67746-25-2
Article Data2
CAS DataBase
Density 1.004g/cm³
Solubility
Melting Point
Formula C₇H₁₄O₂S
Boiling Point 204.1°Cat760mmHg
Molecular Weight 162.253
Flash Point 79.1°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetic acid, (methylthio)-, butyl ester;butyl 2-methylsulfanylacetate;n-Butyl 2-methylthioacetate;
PSA 51.60000
LogP 1.69270

Acetic acid, 2-(methylthio)-, butyl ester Specification

This chemical is called Acetic acid, 2-(methylthio)-, butyl ester, and its systematic name is butyl (methylsulfanyl)acetate. With the molecular formula of C₇H₁₄O₂S, its molecular weight is 162.25. The CAS registry number of this chemical is 67746-25-2.

Other characteristics of the Acetic acid, 2-(methylthio)-, butyl ester can be summarised as followings: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.42; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 40.42; (6)ACD/BCF (pH 7.4): 40.42; (7)ACD/KOC (pH 5.5): 491.57; (8)ACD/KOC (pH 7.4): 491.57; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 51.6 Å²; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 44.25 cm³; (15)Molar Volume: 161.5 cm³; (16)Polarizability: 17.54×10^-24cm³; (17)Surface Tension: 32.6 dyne/cm; (18)Density: 1.004 g/cm³; (19)Flash Point: 79.1 °C; (20)Enthalpy of Vaporization: 44.04 kJ/mol; (21)Boiling Point: 204.1 °C at 760 mmHg; (22)Vapour Pressure: 0.268 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCCCC)CSC
2.InChI: InChI=1/C7H14O2S/c1-3-4-5-9-7(8)6-10-2/h3-6H2,1-2H3
3.InChIKey: QXJSYAFLDDZIQI-UHFFFAOYAU

Product Name

Butyl (methylthio)acetate

Acetic acid, 2-(methylthio)-, butyl ester Specification

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