Basic information
- CAS
7599-99-7- Standard SMILES
CC1(C)CC(=O)C(CC2=C(O)CC(C)(C)CC2=O)=C(O)C1- InChIKey
LAGNNAWSJPPMCH-UHFFFAOYSA-N- Molecular formula
- C17H24O4
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.16745924
Names & identifiers
- Preferred name
- 2,2'-Methylenebis(5,5-dimethyl-3-hydroxy-2-cyclohexen-1-one)
- IUPAC
- 3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohex-2-en-1-one
- English name
- 2,2'-methanediylbis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
- Molecular formula
- C17H24O4
- Molecular weight
- 292.37
Names & synonyms
2,2'-METHYLENEBIS(5,5-DIMETHYL-3-HYDROXY-2-CYCLOHEXEN-1-ONE)7599-99-7RefChem:440316659-115-52,2'-methanediylbis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohex-2-en-1-oneMLS000081890Enamine_000203Cambridge id 5140907Oprea1_640546CBDivE_003679CHEMBL1389730
Show more names
2-Cyclohexen-1-one, 2,2'-methylenebis[3-hydroxy-5,5-dimethyl-
LAGNNAWSJPPMCH-UHFFFAOYSA-NHMS1394J05HMS2430L08STK112784AKOS001031967SMR000060051ST50446858SR-01000530566
Database identifiers
- CAS
7599-99-7- PubChem CID
- 558012
- ChEMBL
CHEMBL1389730- EC Number
- 659-115-5
- Nikkaji
- J934.043B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 511
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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