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2-Methyl-1,3-pentanediol

2-Methyl-1,3-pentanediol structure

CAS No:
149-31-5
Formula:
C6H14O2
Chemical Name:
2-Methyl-1,3-pentanediol
Synonyms:
1,3-Pentanediol,2-methyl-;2-Methyl-1,3-pentanediol;NSC 1251;1-Ethyl-2-methyl-1,3-propanediol;2,4-Dimethyl-1,3-butanediol

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2-Methyl-1,3-pentanediol Basic Attributes

Molecular Weight：

118.17400

Exact Mass：

118.17

EC Number：

604-684-7

NSC Number：

1251

DSSTox ID：

DTXSID6044149

HScode：

2905399090

Characteristics

PSA：

40.46000

XLogP3：

0.38570

Density：

0.9737 g/cm³ @ Temp: 22 °C

Boiling Point：

214-215 °C @ Press: 700 Torr

Flash Point：

108.5ºC

Refractive Index：

1.445

Computed Properties

Molecular Weight:118.17
XLogP3:0.6
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:54.5
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Methyl-1,3-pentanediol

Basic Attributes
Characteristics
Computed Properties

2-Methyl-1,3-pentanediol

SDS

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