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1,4-Pentanediol

1,4-Pentanediol structure

CAS No:
626-95-9
Formula:
C5H12O2
Chemical Name:
1,4-Pentanediol
Synonyms:
1,4-Pentanediol;1,4-Dihydroxy-1-methylbutane;4-Hydroxy-1-pentanol;2,5-Pentanediol;1,4-Dihydroxypentane;(±)-1,4-Pentanediol;94799-25-4
Categories:
Organic Chemistry > Heterocyclic Ring

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Description

CLEAR COLOURLESS OILY LIQUID

1,4-Pentanediol Basic Attributes

Molecular Weight：

104.15

Exact Mass：

104.15

EC Number：

210-973-5

Characteristics

PSA：

40.5

XLogP3：

Density：

0.9857 g/cm³ @ Temp: 25 °C

Melting Point：

50.86°C (estimate)

Boiling Point：

202 °C

Flash Point：

>230 °F

Refractive Index：

n20/D 1.447(lit.)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

S24/25

Computed Properties

Molecular Weight:104.15
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:104.083729621
Monoisotopic Mass:104.083729621
Topological Polar Surface Area:40.5
Heavy Atom Count:7
Complexity:37.1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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