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1,12-Dodecanediol

1,12-Dodecanediol structure

CAS No:
5675-51-4
Formula:
C12H26O2
Chemical Name:
1,12-Dodecanediol
Synonyms:
1,12-Dodecanediol;1,12-Dihydroxydodecane;n-Dodecane-1,12-diol;α,ω-Dodecanediol;NSC 81250;D 0969
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white scales or powder

1,12-Dodecanediol Basic Attributes

Molecular Weight：

202.338

Exact Mass：

202.33

EC Number：

227-133-9

NSC Number：

81250

DSSTox ID：

DTXSID1074919

HScode：

2905399090

Characteristics

PSA：

40.5

XLogP3：

4.1

Density：

0.9±0.1 g/cm3

Melting Point：

81.3 °C

Boiling Point：

175-180 °C @ Press: 3 Torr

Flash Point：

151.1±13.6 °C

Refractive Index：

1.460

Water Solubility：

Soluble in alcohol and warm ether. Insoluble in water and petroleum ether.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

S22

1,12-Dodecanediol Use and Manufacturing

Manufacturing Info：

1,12-Dodecanediol: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:202.33
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:11
Exact Mass:202.193280068
Monoisotopic Mass:202.193280068
Topological Polar Surface Area:40.5
Heavy Atom Count:14
Complexity:82.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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