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tert-Amylbenzene

tert-Amylbenzene structure

CAS No:
2049-95-8
Formula:
C11H16
Chemical Name:
tert-Amylbenzene
Synonyms:
Benzene,(1,1-dimethylpropyl)-;Benzene,tert-pentyl-;(1,1-Dimethylpropyl)benzene;tert-Pentylbenzene;tert-Amylbenzene;2-Methyl-2-phenylbutane;Hizol P;NSC 4025;(2-Methylbutan-2-yl)benzene;2-Methylbutan-2-ylbenzene
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

Colorless liquid

tert-Amylbenzene Basic Attributes

Molecular Weight：

148.24

Exact Mass：

148.24

BRN：

2039053

EC Number：

218-076-0

UNII：

ER8C1TON3X

NSC Number：

4025

DSSTox ID：

DTXSID7051848

HScode：

29029090

Characteristics

PSA：

XLogP3：

3.37420

Density：

0.8720 g/cm³

Melting Point：

-44.72°C (estimate)

Boiling Point：

192.4 °C

Flash Point：

65°C

Refractive Index：

1.496

Water Solubility：

10.5mg/L(25 ºC)

Storage Conditions：

Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.

Vapor Pressure：

0.764mmHg at 25°C

Toxicity：

Oral-ratLDL0: 8740 mg/kg

Flammability characteristics：

More flammable; burning produces irritating fumes

Safety Information

Packing level：

I; II; III

Hazard category：

Transport codes：

UN1993 - class 3 - PG 3 - EHS - Flammable liquids, n.o.s., HI: all

safety instructions：

23-24/25

RTECS Number：

DA6720000

Storage features：

Warehouse ventilated, low temperature and dry

Precautionary statement(s)：

P210; P280; P370 + P378

Hazard Statements：

H226; H317; H411

GHS Classification：

|Warning|H221 (14.29%): Flammable gas [Danger Flammable gases]|P210, P233, P240, P241, P242, P243, P261, P272, P273, P280, P302+P352, P303+P361+P353, P321, P333+P313, P363, P370+P378, P377, P381, P391, P403, P403+P235, and P501|Aggregated GHS information provided by 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

practically nontoxic

tert-Amylbenzene Use and Manufacturing

Uses

Mainly used in the production of tertiary amylanthraquinone, a highly soluble working fluid carrier of hydrogen peroxide, and can also be used as a solvent

Manufacturing Info：

Benzene, (1,1-dimethylpropyl)-: ACTIVE

Computed Properties

Molecular Weight:148.24
XLogP3:4.7
Rotatable Bond Count:2
Exact Mass:148.125200510
Monoisotopic Mass:148.125200510
Heavy Atom Count:11
Complexity:107
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Benzene

Sulfuric acid

Cumene

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