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Spiro(4.5)decan-2-one

HCID 557153
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
3643-16-1
Standard SMILES
O=C1CCC2(CCCCC2)C1
InChIKey
DJHRXBYWKVQDJY-UHFFFAOYSA-N
Molecular formula
C10H16O
Average molar mass
152.23 g/mol
Monoisotopic mass
152.12011513

Names & identifiers

Preferred name
Spiro(4.5)decan-2-one
IUPAC
spiro[4.5]decan-3-one

Names & synonyms

Spiro[4.5]decan-2-one3643-16-1spiro[4.5]decan-3-onespiro(4.5)decan-3-oneSpiro(4.5)decan-2-oneRefChem:184775855-917-6DJHRXBYWKVQDJY-UHFFFAOYSA-NMFCD24689120starbld0020979spiro[4.5]decan-2-onSCHEMBL708873
Show more names
DTXSID201314872DAA64316AT43858EN300-1725930

Database identifiers

CAS
3643-16-1
PubChem CID
557153
DTXSID
DTXSID201314872
EC Number
855-917-6
Nikkaji
J797.218K

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
11
Formal charge
0
Complexity
166

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Related reactions

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New reaction record

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Compound notes

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