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Acetic acid, 2-mercapto-, 1,1′-(1,4-butanediyl) ester

Acetic acid, 2-mercapto-, 1,1′-(1,4-butanediyl) ester structure

CAS No:
10193-95-0
Formula:
C8H14O4S2
Chemical Name:
Acetic acid, 2-mercapto-, 1,1′-(1,4-butanediyl) ester
Synonyms:
Acetic acid,2-mercapto-,1,1′-(1,4-butanediyl) ester;Acetic acid,mercapto-,tetramethylene ester;Acetic acid,mercapto-,1,4-butanediyl ester;1,4-Butanediol,bis(mercaptoacetate);Tetramethylene mercaptoacetate;1,4-Butanediol dithioglycolate;1,4-Butanediol bis(thioglycolate);1,4-Butanediyl bis(mercaptoacetate);1,4-Butanediol bis(2-mercaptoacetate);B 3423
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Acetic acid, 2-mercapto-, 1,1′-(1,4-butanediyl) ester Basic Attributes

Molecular Weight：

238.32

Exact Mass：

238.32

EC Number：

233-479-1

DSSTox ID：

DTXSID8064987

Characteristics

PSA：

130.20000

XLogP3：

0.71260

Density：

1.4463 (rough estimate)

Boiling Point：

350.93°C (rough estimate)

Flash Point：

268.5ºC

Refractive Index：

1.5080-1.5120

Vapor Pressure：

1.27E-05mmHg at 25°C

Toxicity：

Oral-rat LD50: 405 mg/kg

Flammability characteristics：

Flammable; decomposes toxic sulfur oxide fumes when heated

Safety Information

RTECS Number：

AI8300000

Storage features：

Treasury is ventilated, low temperature and dry; stored separately from food materials

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Toxicity

Toxicity class：

highly toxic

Acetic acid, 2-mercapto-, 1,1′-(1,4-butanediyl) ester Use and Manufacturing

Manufacturing Info：

Acetic acid, 2-mercapto-, 1,1'-(1,4-butanediyl) ester: INACTIVE

Computed Properties

Molecular Weight:238.3
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:238.03335127
Monoisotopic Mass:238.03335127
Topological Polar Surface Area:54.6
Heavy Atom Count:14
Complexity:164
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Latest News on Acetic acid, 2-mercapto-, 1,1′-(1,4-butanediyl) ester

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Guide of Acetic acid, 2-mercapto-, 1,1′-(1,4-butanediyl) ester

Basic Attributes
Characteristics
Safety Information
Toxicity
Use and Manufacturing
Computed Properties
Latest News
Learn More Other Chemicals

Acetic acid, 2-mercapto-, 1,1′-(1,4-butanediyl) ester

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