1,3,3a,4,7,7a-Hexahydro-2H-inden-2-one

HCID 556249
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Basic information

CAS
90534-02-4
Standard SMILES
O=C1CC2CC=CCC2C1
InChIKey
XTHWLHROZDWGOU-UHFFFAOYSA-N
Molecular formula
C9H12O
Average molar mass
136.19 g/mol
Monoisotopic mass
136.088815

Names & identifiers

Preferred name
1,3,3a,4,7,7a-Hexahydro-2H-inden-2-one
IUPAC
1,3,3a,4,7,7a-hexahydroinden-2-one

Names & synonyms

90534-02-41,3,3a,4,7,7a-Hexahydro-2H-inden-2-one2,3,3a,4,7,7a-hexahydro-1H-inden-2-one1,3,3a,4,7,7a-hexahydroinden-2-oneSCHEMBL10781150QDA53402EN300-6736712

Database identifiers

CAS
90534-02-4
PubChem CID
556249
EC Number
182-611-3

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
10

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Related reactions

2 records
New reaction record

Compound notes

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