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2-(1-Methylethyl)-1,3-propanediol

2-(1-Methylethyl)-1,3-propanediol structure

CAS No:
2612-27-3
Formula:
C6H14O2
Chemical Name:
2-(1-Methylethyl)-1,3-propanediol
Synonyms:
1,3-Propanediol,2-(1-methylethyl)-;1,3-Propanediol,2-isopropyl-;2-(1-Methylethyl)-1,3-propanediol;2-Isopropyl-1,3-propanediol;2-(Propan-2-yl)propane-1,3-diol;2-Propan-2-ylpropane-1,3-diol

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2-(1-Methylethyl)-1,3-propanediol Basic Attributes

Molecular Weight：

118.17400

Exact Mass：

118.17

DSSTox ID：

DTXSID00180755

Characteristics

PSA：

40.46000

XLogP3：

0.24320

Density：

0.958g/cm3

Boiling Point：

133 °C @ Press: 18 Torr

Flash Point：

110.4ºC

Refractive Index：

1.445

Vapor Pressure：

0.0262mmHg at 25°C

Safety Information

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:118.17
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:118.099379685
Monoisotopic Mass:118.099379685
Topological Polar Surface Area:40.5
Heavy Atom Count:8
Complexity:48.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: dipotassium phosphate; acetonide; chromate charge; propanedioic acid; magnesium iodide; pentanol

Guide of 2-(1-Methylethyl)-1,3-propanediol

Basic Attributes
Characteristics
Safety Information
Computed Properties

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