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3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one

3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one structure

CAS No:
19915-11-8
Formula:
C8H12O
Chemical Name:
3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
Synonyms:
3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one;cis-Bicyclo(3.3.0)-octan-2-one;cis-Bicyclo[3.3.0]-octan-2-one;trans-Bicyclo(3.3.0)-octan-2-one;29365-79-5;trans-Bicyclo[3.3.0]-octan-2-one;Octahydropentalen-1-one;hexahydro-1(2H)-pentalenone;Hexahydropentalen-1(2H)-one;bicyclo[3,3,0]octan-2-one

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3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one Basic Attributes

Molecular Weight：

124.183

Exact Mass：

124.089

Characteristics

PSA：

17.1

XLogP3：

1.5

Density：

1.0084

Melting Point：

-27°C

Boiling Point：

195°C (estimate)

Refractive Index：

1.4766

Safety Information

GHS Classification：

|Warning|H227 (100%): Combustible liquid [Warning Flammable liquids]|P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:124.18
XLogP3:1.5
Hydrogen Bond Acceptor Count:1
Exact Mass:124.088815002
Monoisotopic Mass:124.088815002
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Complexity:140
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one

29365-79-5

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Guide of 3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one

Basic Attributes
Characteristics
Safety Information
Computed Properties
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3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one

SDS

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