Oxocane-2,8-dione

HCID 9543533

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Basic information

CAS: 10521-07-0
Standard SMILES: O=C1CCCCCC(=O)O1
InChIKey: ZJHUBLNWMCWUOV-UHFFFAOYSA-N
Molecular formula: C7H10O3
Average molar mass: 142.15 g/mol
Monoisotopic mass: 142.06299418

Names & identifiers

Preferred name: Oxocane-2,8-dione
IUPAC: oxocane-2,8-dione
English name: 2,8-Oxocanedione
Molecular formula: C7H10O3
Molecular weight: 142.15

Names & synonyms

Oxocane-2,8-dione2,8-OxocanedioneRefChem:857777846-069-810521-07-0pimelic anhydridepimelic acid anhydrideMFCD16294213PimelinsaureanhydridSCHEMBL1014174DTXSID20429491ZJHUBLNWMCWUOV-UHFFFAOYSA-N

Show more names

KAA52107AS-92209EN300-86153G28326

Database identifiers

CAS: 10521-07-0
PubChem CID: 9543533
DTXSID: DTXSID20429491
EC Number: 846-069-8
Nikkaji: J801.597J

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 135

Physicochemical properties

Boiling point: 275.9 · 275.9±9.0 °C(Predicted)
Density: 1.128 · 1.128±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

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%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H335-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P