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3-Ethyl-3-heptanol

3-Ethyl-3-heptanol structure

CAS No:
19780-41-7
Formula:
C9H20O
Chemical Name:
3-Ethyl-3-heptanol
Synonyms:
3-Heptanol,3-ethyl-;3-Ethyl-3-heptanol;1,1-Diethylpentanol;NSC 96959;3-Hydroxy-3-ethylheptane

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3-Ethyl-3-heptanol Basic Attributes

Molecular Weight：

144.25400

Exact Mass：

144.25

EC Number：

243-301-4

NSC Number：

96959

DSSTox ID：

DTXSID70173477

HScode：

2905199090

Characteristics

PSA：

20.23000

XLogP3：

2.72770

Density：

1.4360 g/cm³ @ Temp: 20 °C

Boiling Point：

116-118 °C @ Press: 105 Torr

Flash Point：

71.1ºC

Refractive Index：

1.431

Vapor Pressure：

0.217mmHg 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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:144.25
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:144.151415257
Monoisotopic Mass:144.151415257
Topological Polar Surface Area:20.2
Heavy Atom Count:10
Complexity:74.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Ethyl-3-heptanol

Basic Attributes
Characteristics
Safety Information
Computed Properties

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