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2-heptylsulfanylethanol

2-heptylsulfanylethanol structure

CAS No:
26901-97-3
Formula:
C9H20OS
Chemical Name:
2-heptylsulfanylethanol
Synonyms:
1-<2-Hydroxy-aethylmercapto>-n-heptan; 2-heptylmercapto-ethanol; Ethanol, 2-(heptylthio)-; 2-heptylthioethan-1-ol; 2-Hydroxyethyl heptyl sulfide; 2-Heptylmercapto-aethanol;Expand

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2-heptylsulfanylethanol Basic Attributes

Molecular Weight：

176.31900

Exact Mass：

176.12348643 g/mol

NSC Number：

404006

DSSTox ID：

DTXSID80181407

HScode：

2930909090

Characteristics

PSA：

45.53000

XLogP3：

2.68230

Density：

0.935g/cm3

Boiling Point：

273.2ºC

Flash Point：

133.3ºC

Refractive Index：

1.476

Vapor Pressure：

0.000747mmHg at 25°C

Safety Information

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+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:176.32
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:176.12348643
Monoisotopic Mass:176.12348643
Topological Polar Surface Area:45.5
Heavy Atom Count:11
Complexity:66.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-heptylsulfanylethanol

Basic Attributes
Characteristics
Safety Information
Computed Properties

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