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4β-Ethoxycyclohexanone

4β-Ethoxycyclohexanone structure

CAS No:
23510-92-1
Formula:
C8H14O2
Chemical Name:
4β-Ethoxycyclohexanone
Synonyms:
4-Ethoxycyclohexanone;4β-Ethoxycyclohexanone;1-Ethoxy-4-oxocyclohexane;4-Ethoxycyclohexan-1-one 97%;4-Ethoxycyclohexan-1-one97%;4-ethoxycyclohexan-1-one
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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4β-Ethoxycyclohexanone Basic Attributes

Molecular Weight：

142.2

Exact Mass：

142.099

DSSTox ID：

DTXSID80338111

Characteristics

PSA：

26.3

XLogP3：

0.7

Density：

0.97±0.1 g/cm3(Predicted)

Safety Information

Hazard category：

IRRITANT

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:142.20
XLogP3:0.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:142.099379685
Monoisotopic Mass:142.099379685
Topological Polar Surface Area:26.3
Heavy Atom Count:10
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes