1-Butanol,3-mercapto-3-methyl-, 1-acetate supplier

Name
3-MERCAPTO-3-METHYLBUTYL ACETATE
EINECS
CAS No. 50746-09-3
Article Data8
CAS DataBase
Density 1.003 g/cm³
Solubility
Melting Point
Formula C₇H₁₄O₂S
Boiling Point 209.5 ºC at 760 mmHg
Molecular Weight 162.253
Flash Point 85.4 ºC
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-MERCAPTO-3-METHYLBUTYL ACETATE;1-Butanol,3-Mercapto-3-Methyl-, 1-acetate;3-Mercapto-3-Methyl-1-butyl acetate
PSA 65.10000
LogP 1.64800

1-Butanol,3-mercapto-3-methyl-, 1-acetate Specification

The 1-Butanol,3-mercapto-3-methyl-, 1-acetate, with the CAS registry number 50746-09-3, is also known as Acetic acid, 3-mercapto-3-methylbutyl ester. This chemical's molecular formula is C₇H₁₄O₂S and molecular weight is 162.25. What's more, its systematic name is called 3-Methyl-3-sulfanylbutyl acetate.

Physical properties about 1-Butanol,3-mercapto-3-methyl-, 1-acetate are: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 51.6 Å²; (7)Index of Refraction: 1.458; (8)Molar Refractivity: 44.11 cm³; (9)Molar Volume: 161.6 cm³; (10)Surface Tension: 31.2 dyne/cm; (11)Density: 1.003 g/cm³; (12)Flash Point: 85.4 °C; (13)Enthalpy of Vaporization: 44.58 kJ/mol; (14)Boiling Point: 209.5 °C at 760 mmHg; (15)Vapour Pressure: 0.202 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCC(S)(C)C)C
(2) InChI: InChI=1/C7H14O2S/c1-6(8)9-5-4-7(2,3)10/h10H,4-5H2,1-3H3
(3) InChIKey: HEZWKNVLHZGPOE-UHFFFAOYAJ

Product Name

3-MERCAPTO-3-METHYLBUTYL ACETATE

1-Butanol,3-mercapto-3-methyl-, 1-acetate Specification

Related Products

Hot Products