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2,4-Pentanediol

2,4-Pentanediol structure

CAS No:
625-69-4
Formula:
C5H12O2
Chemical Name:
2,4-Pentanediol
Synonyms:
2,4-Pentanediol;2,4-Amylene glycol;2,4-Dihydroxypentane;NSC 13528;NSC 53505;1,3-Dimethylpropane-1,3-diol;75398-91-3

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Description

clear colorless to light yellow liquid

2,4-Pentanediol Basic Attributes

Molecular Weight：

104.149

Exact Mass：

104.15

EC Number：

210-907-5

UNII：

92H536ZDXF

NSC Number：

53505|13528

DSSTox ID：

DTXSID9032878

Characteristics

PSA：

40.5

XLogP3：

-0.34

Density：

1.0±0.1 g/cm3

Melting Point：

52.5°C

Boiling Point：

199 °C

Flash Point：

101.7±0.0 °C

Refractive Index：

1.441

Toxicity：

LD50 orl-rat: 6860 mg/kg AMIHBC 10,61,54

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

24/25

RTECS Number：

SA0490000

Drug Information

MeSH Entry Terms：

2,4-pentanediol

Computed Properties

Molecular Weight:104.15
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:104.083729621
Monoisotopic Mass:104.083729621
Topological Polar Surface Area:40.5
Heavy Atom Count:7
Complexity:39.3
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,4-Pentanediol

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

2,4-Pentanediol

SDS

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