Basic information
- CAS
1123-27-9- Standard SMILES
CC(=O)C1(O)CCCCC1- InChIKey
JKAKPUWJSRMKFH-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- 1-Acetylcyclohexanol
- IUPAC
- 1-(1-hydroxycyclohexyl)ethanone
- English name
- 1-ACETYLCYCLOHEXANOL
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
1-ACETYLCYCLOHEXANOL1123-27-91-(1-Hydroxycyclohexyl)ethanoneEthanone, 1-(1-hydroxycyclohexyl)-1-(1-Hydroxycyclohexyl)ethan-1-one6RXC23D3LCNSC 31427HYDROXYCYCLOHEXYL METHYL KETONEEINECS 214-372-9NSC 37640NSC-31427NSC-37640
Show more names
1-(1-hydroxycyclohexyl)ethan-11-(1-hydroxycyclohexyl)-ethanon1-Acetylcyclohexanol≥ 95% (assay)
AI3-13216DTXSID50615361-ACETYL-1-HYDROXYCYCLOHEXANE1-HYDROXYCYCLOHEXYL METHYL KETONEKETONE, 1-HYDROXYCYCLOHEXYL METHYLRefChem:429026DTXCID60332931-(1-hydroxy-cyclohexyl)-ethanone
Database identifiers
- CAS
1123-27-9- PubChem CID
- 70745
- DTXSID
DTXSID5061536- UNII
- 6RXC23D3LC
- EC Number
- 214-372-9
- Nikkaji
- J80.168B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 134
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 219.78 °C · 219.78°C (rough estimate)
- Density
- 1.0248 · 1.0248
- refractive index
- 1.467 · 1.4670 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 13.28 · 13.28±0.20(Predicted)
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 1.144 · 1.144 (est)
- FDA UNII
- 6 RXC23D3LC · 6RXC23D3LC
- EPA Substance Registry System
- 1 · Ethanone, 1-(1-hydroxycyclohexyl)- (1123-27-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
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
This chemical does not meet GHS hazard criteria for 69% (89 of 129) of all reports.
Danger
H301 (29.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 129 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Ethanone, 1-(1-hydroxycyclohexyl)-
Ethanone, 1-(1-hydroxycyclohexyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Ethanone, 1-(1-hydroxycyclohexyl)-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (29.5%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2914409000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanone, 1-(1-hydroxycyclohexyl)-: INACTIVE
Suppliers22 total
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
镇江迪艾生物科技有限公司18912101619 · [email protected]
重庆诺森医药有限公司15310618205 · [email protected]
Wuhan Konberd Biotech Co., Ltd+undefined-18986093962 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
ChemeGen 中国18818260767 · [email protected]
越林试剂021-62960152 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…