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5-CARBOXY-1-PENTANETHIOL

5-CARBOXY-1-PENTANETHIOL structure

CAS No:
17689-17-7
Formula:
C6H12O2S
Chemical Name:
5-CARBOXY-1-PENTANETHIOL
Synonyms:
5-CARBOXY-1-PENTANETHIOL;6-SULFANYLHEXANOIC ACID;6-Mercaptohexanoic acid ,97%;6-Mercaptohexanoic acid,MHA;6-Mercaptohexanoic acid 90%;6-Mercaptohexanoic acid≥ 96% (assay)
Categories:
Pharmaceutical Intermediates > Ophthalmic Agents

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Description

Colorless to yellow liquid

5-CARBOXY-1-PENTANETHIOL Basic Attributes

Molecular Weight：

148.22328

Exact Mass：

148.05600

NSC Number：

310239

DSSTox ID：

DTXSID60317045

HScode：

2930909090

Characteristics

PSA：

38.3

XLogP3：

1.56120

Density：

1.0715 g/mL at 25 °C

Boiling Point：

155-157 °C(Press: 13 Torr)

Flash Point：

118.9ºC

Refractive Index：

n20/D 1.4846

Storage Conditions：

-20°C

Safety Information

Transport codes：

UN 3334

wgk germany：

hazard class code：

36/37/38

safety instructions：

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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:148.23
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:148.05580079
Monoisotopic Mass:148.05580079
Topological Polar Surface Area:38.3
Heavy Atom Count:9
Complexity:83.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Magnesium sulfate heptahydrate

Sodium hydroxide

Sodium hydrosulfide

Potassium carbonate

Ethanol

Sulfuric acid

PETROLEUM ETHER

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5-CARBOXY-1-PENTANETHIOL

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CAS No.: 17689-17-7

Grade: Pharmaceutical Grade

Content: 99%

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