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TERT-BUTYLMETHYLSULFIDE

TERT-BUTYLMETHYLSULFIDE structure

CAS No:
6163-64-0
Formula:
C5H12S
Chemical Name:
TERT-BUTYLMETHYLSULFIDE
Synonyms:
(CH3)3CSCH3;T-BUTYL METHYL SULFIDE;Methyl t-butyl sulfide;METHYL TERT-BUTYL SULFIDE;3,3-Dimethyl-2-thiabutane;TERT-BUTYL METHYL SULFIDE;TERT-BUTYL METHYL SULPHIDE;Sulfide, tert-butyl methyl;2-thiabutane,3,3-dimethyl-;tert-Butyl methyl sulfide,97%
Categories:
Chemical Reagents > Organic Reagents

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Description

clear colorless liquid

TERT-BUTYLMETHYLSULFIDE Basic Attributes

Molecular Weight：

104.21

Exact Mass：

104.06600

NSC Number：

97331

DSSTox ID：

DTXSID20210644

HScode：

2930909090

Characteristics

PSA：

25.30000

XLogP3：

2.14790

Density：

0.826

Melting Point：

-82.31°C

Boiling Point：

101-102 °C(lit.)

Flash Point：

25 °F

Refractive Index：

n20/D 1.44(lit.)

Water Solubility：

Difficult to mix.

Storage Conditions：

Flammables area

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 1993 3/PG 2

wgk germany：

hazard class code：

11-36/37/38

safety instructions：

16-26-36/37/39

Marks：

F,Xi

Precautionary statement(s)：

P210-P261-P305 + P351 + P338

Hazard Statements：

H225-H315-H319-H335

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:104.22
XLogP3:1.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:104.06597156
Monoisotopic Mass:104.06597156
Topological Polar Surface Area:25.3
Heavy Atom Count:6
Complexity:33.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes