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3,3-Dimethyl-1-butanol

3,3-Dimethyl-1-butanol structure

CAS No:
624-95-3
Formula:
C6H14O
Chemical Name:
3,3-Dimethyl-1-butanol
Synonyms:
1-Butanol,3,3-dimethyl-;3,3-Dimethyl-1-butanol;3,3-Dimethylbutanol;Dimbunol;NSC 54158
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

colorless liqui

3,3-Dimethyl-1-butanol Basic Attributes

Molecular Weight：

102.177

Exact Mass：

102.17

EC Number：

210-872-6

UNII：

543OYD666T

NSC Number：

54158

DSSTox ID：

DTXSID3060796

HScode：

2905199090

Characteristics

PSA：

20.2

XLogP3：

1.6

Appearance：

colorless liquid

Density：

0.844 g/cm³ @ Temp: 15 °C

Melting Point：

-60 °C

Boiling Point：

143 °C

Flash Point：

118 °F

Refractive Index：

n20/D 1.414(lit.)

Water Solubility：

Slightly soluble in water.

Vapor Pressure：

2.45 mmHg

Safety Information

Packing level：

Ⅲ

Hazard category：

3.2

Transport codes：

1987

wgk germany：

hazard class code：

safety instructions：

S23-S24/25-S23/24/25

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 134 companies from 2 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

3,3-dimethyl-1-butanol

3,3-Dimethyl-1-butanol Use and Manufacturing

Manufacturing Info：

1-Butanol, 3,3-dimethyl-: ACTIVE

Computed Properties

Molecular Weight:102.17
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:102.104465066
Monoisotopic Mass:102.104465066
Topological Polar Surface Area:20.2
Heavy Atom Count:7
Complexity:42.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 3,3-Dimethyl-1-butanol

Guangzhou Yaoguang Technology Co., Ltd. Contact Supplier

CN
6 YRS

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624-95-3

CAS No.: 624-95-3

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Shaanxi Dideu Medichem Co. Ltd Contact Supplier

CN
5 YRS

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High Quality 99% Purity of 3,3-Dimethyl-1-butanol CAS NO 624-95-3 ISO 9001:2005 REACH Verified Producer

CAS No.: 624-95-3

Grade: Industrial Grade

Content: 99%

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