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6-Mercapto-1-hexanol

6-Mercapto-1-hexanol structure

CAS No:
1633-78-9
Formula:
C6H14OS
Chemical Name:
6-Mercapto-1-hexanol
Synonyms:
1-Hexanol,6-mercapto-;6-Mercapto-1-hexanol;6-Hydroxy-1-hexanethiol;6-Mercaptohexanol;Mercaptohexanol;1-Mercapto-6-hexanol;6-Hydroxyhexyl mercaptan;874746-54-0
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Colorless to light yellow liquid

6-Mercapto-1-hexanol Basic Attributes

Molecular Weight：

134.24

Exact Mass：

134.24

DSSTox ID：

DTXSID90339932

HScode：

29309090

Characteristics

PSA：

21.2

XLogP3：

1.37

Appearance：

colourless to light yellow liquid with a foul smell

Density：

0.981 g/mL at 25 °C(lit.)

Boiling Point：

118-119 °C @ Press: 15 Torr

Flash Point：

>230 °F

Refractive Index：

n 20/D 1.486(lit.)

Vapor Pressure：

0.0304mmHg at 25°C

Safety Information

Transport codes：

UN 3334

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

6-hydroxy-1-hexanethiol

6-Mercapto-1-hexanol Use and Manufacturing

The compound is used to prepare hydrophilic self-assembled monolayer. Even when attached to gold nanoclusters, the resulting alcohol-terminated monolayer can be further functionalized with various groups.

Computed Properties

Molecular Weight:134.24
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:134.07653624
Monoisotopic Mass:134.07653624
Topological Polar Surface Area:21.2
Heavy Atom Count:8
Complexity:39.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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