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3-Methyl-1,5-pentanediol

3-Methyl-1,5-pentanediol structure

CAS No:
4457-71-0
Formula:
C6H14O2
Chemical Name:
3-Methyl-1,5-pentanediol
Synonyms:
1,5-Pentanediol,3-methyl-;3-Methyl-1,5-pentanediol;1,5-Dihydroxy-3-methylpentane;MPD;Diol MPD;NSC 6496
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Colorlessliquid

3-Methyl-1,5-pentanediol Basic Attributes

Molecular Weight：

118.17

Exact Mass：

118.17

BRN：

1697331

EC Number：

224-709-1

UNII：

88495M4HNS

NSC Number：

6496

DSSTox ID：

DTXSID1063483

HScode：

2905399090

Characteristics

PSA：

40.5

XLogP3：

0.38730

Density：

0.9738 g/cm³ @ Temp: 20 °C

Melting Point：

106-107 °C

Boiling Point：

84-95 °C @ Press: 0.7 Torr

Flash Point：

143°C

Refractive Index：

n20/D 1.454

Safety Information

Transport codes：

1987

wgk germany：

safety instructions：

23-24/25

RTECS Number：

SA0800000

Precautionary statement(s)：

P264, P280, P305+P351+P338, P33, P313

Hazard Statements：

H319

GHS Classification：

|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 111 companies from 2 notifications to the ECHA C&L Inventory.

3-Methyl-1,5-pentanediol Use and Manufacturing

Manufacturing Info：

1,5-Pentanediol, 3-methyl-: ACTIVE

Computed Properties

Molecular Weight:118.17
XLogP3:0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:118.099379685
Monoisotopic Mass:118.099379685
Topological Polar Surface Area:40.5
Heavy Atom Count:8
Complexity:39.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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