Basic information
- CAS
41043-88-3- Standard SMILES
CC(=O)OC1CCC(=O)CC1- InChIKey
YBMRTOLIRJUOPL-UHFFFAOYSA-N- Molecular formula
- C8H12O3
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.07864424
Names & identifiers
- Preferred name
- 4-Oxocyclohexyl acetate
- IUPAC
- (4-oxocyclohexyl) acetate
- English name
- Acetic acid 4-oxo-cyclohexyl ester
- Molecular formula
- C8H12O3
- Molecular weight
- 156.18
Names & synonyms
4-Oxocyclohexyl acetate41043-88-3(4-oxocyclohexyl) acetateAcetic acid 4-oxo-cyclohexyl ester4-acetoxycyclohexanoneMFCD077794394-Oxocyclohexyl acetate #4-(Acetyloxy)-cyclohexanoneSCHEMBL1207769DTXSID70340581ACETICACID4-OXO-CYCLOHEXYLESTERAcetic acid,4-oxocyc
Show more names
4-(acetyloxy)cyclohexanoneCyclohexanone,4-(acetyloxy)-17-methyl cyclohexanone carboxylate
Acetic acid, 4-oxocyclohexyl esterAKOS006286384AC-5138DS-5479DA-22372SY119865CS-0155007F31026
Database identifiers
- CAS
41043-88-3- PubChem CID
- 565869
- DTXSID
DTXSID70340581- Nikkaji
- J947.820E
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 121 · 121-124 °C(Press: 11 Torr)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- InChI
- InChI=1S/C8H12O3/c1-6(9)11-8-4-2-7(10)3-5-8/h8H,2-5H2,1H3
- InChIKey
- YBMRTOLIRJUOPL-UHFFFAOYSA-N
- SMILES
- C1(=O)CCC(OC(C)=O)CC1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H315-H319-H335
- Precautionary statements
- 305 · P305+P351+P338
- HS Code
- 2918300090 · 2918300090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2918300090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H227-H315-H319-H335
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers33 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
上海诺太医药科技有限公司021-50189163 · [email protected]
上海汇凯化学科技有限公司021-61995394 18916691159 · [email protected]
Related reactions
2 records
Compound notes
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