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2,2,4-Trimethyl-1-pentanol

2,2,4-Trimethyl-1-pentanol structure

CAS No:
123-44-4
Formula:
C8H18O
Chemical Name:
2,2,4-Trimethyl-1-pentanol
Synonyms:
1-Pentanol,2,2,4-trimethyl-;2,2,4-Trimethyl-1-pentanol;NSC 35410

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2,2,4-Trimethyl-1-pentanol Basic Attributes

Molecular Weight：

130.23

Exact Mass：

130.23

EC Number：

204-628-8

UNII：

IX60R7GK8R

NSC Number：

35410

DSSTox ID：

DTXSID6073158

HScode：

2905199090

Characteristics

PSA：

20.23000

XLogP3：

2.05100

Density：

0.834

Melting Point：

166-166.5 °C

Boiling Point：

79-80 °C @ Press: 23 Torr

Flash Point：

56.6ºC

Refractive Index：

1.428

Vapor Pressure：

0.961mmHg at 25°C

Safety Information

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|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:130.23
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:130.135765193
Monoisotopic Mass:130.135765193
Topological Polar Surface Area:20.2
Heavy Atom Count:9
Complexity:74.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,2,4-Trimethyl-1-pentanol

Basic Attributes
Characteristics
Safety Information
Computed Properties

2,2,4-Trimethyl-1-pentanol

SDS

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