Basic information
- CAS
90482-23-8- Standard SMILES
CCC(=O)CC(=O)C1CC1- InChIKey
OWEWZFCREOKWIV-UHFFFAOYSA-N- Molecular formula
- C8H12O2
- Average molar mass
- 140.18 g/mol
Names & identifiers
- Preferred name
- 1-Cyclopropylpentane-1,3-dione
- IUPAC
- 1-cyclopropylpentane-1,3-dione
- English name
- 1-cyclopropylpentane-1,3-dione
- Molecular formula
- C8H12O2
- Molecular weight
- 140.18
Names & synonyms
1-cyclopropylpentane-1,3-dione90482-23-8RefChem:431991860-913-2SCHEMBL5095501-Cyclopropyl-1,3-pentanedioneOWEWZFCREOKWIV-UHFFFAOYSA-NQDA48223AKOS008118521DS-021689EN300-60576G21706
Show more names
1,3-Pentanedione, 1-cyclopropyl-
Z361882656
Database identifiers
- CAS
90482-23-8- PubChem CID
- 21949865
- EC Number
- 860-913-2
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 78 · 78-79 °C(Press: 8 Torr)
- Density
- 1.069 · 1.069±0.06 g/cm3(Predicted)
- pka
- 9.97 · 9.97±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
GHS classification
GHS Classification
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)
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers2 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
3 records
Compound notes
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