Basic information
- CAS
1193-81-3- Standard SMILES
CC(O)C1CCCCC1- InChIKey
JMSUNAQVHOHLMX-UHFFFAOYSA-N- Molecular formula
- C8H16O
- Average molar mass
- 128.21 g/mol
- Monoisotopic mass
- 128.12011513
Names & identifiers
- Preferred name
- 1-Cyclohexylethanol
- IUPAC
- 1-cyclohexylethanol
- English name
- 1-Cyclohexylethanol
- Molecular formula
- C8H16O
- Molecular weight
- 128.21
Names & synonyms
1-Cyclohexylethanol1193-81-3Cyclohexanemethanol, alpha-methyl-Cyclohexanemethanol, .alpha.-methyl-alpha-MethylcyclohexanemethanolDTXSID7047643EINECS 214-780-7G247D91I97UNII-G247D91I97NSC 9476NSC-9476NSC 44898
Show more names
1-Cyclohexylethan-1-olα-MethylcyclohexanemethanolNsc9476CYCLOHEXANEETHANOL1-Cyclohexyl-1-ethanolEthanol, 1-cyclohexyl-CYCLOHEXYLMETHYLCARBINOLMethylcyclohexylcarbinol1-CYCLOHEXYLETHANOL 98+%
NSC-44898AI3-36516DTXCID5027643FEMA NO. 4794RefChem:75500CYCLOHEXANEMETHANOL, (+-)-1-CYCLOHEXYLETHANOL, (+-)-METHYLCYCLOHEXYLCARBINOL, (+-)-
Database identifiers
- CAS
1193-81-3- PubChem CID
- 137829
- DTXSID
DTXSID7047643- ChEMBL
CHEMBL3186998- UNII
- G247D91I97
- EC Number
- 214-780-7
- Nikkaji
- J138.306J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 74.6
Experimental & physicochemical properties
FragrancesFragrance Ingredient (1-Cyclohexylethanol) -> IFRA transparency List
Physicochemical properties
- Melting point
- 140 °C · 140 °C
- Boiling point
- 189 °C · 189 °C (lit.)
- Density
- 0.928 g/mL · 0.928 g/mL at 25 °C (lit.)
- vapor pressure
- 36.8 Pa · 36.8Pa at 24℃
- refractive index
- 20 · n20/D 1.465(lit.)
- FEMA
- 4794 · 4794 | (+/-)-1-CYCLOHEXYLETHANOL
- Flash point
- 163 °F · 163 °F
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 15.24 · 15.24±0.20(Predicted)
- Odor
- Clean, fresh aroma
- Appearance
- Colorless to light yellow Liquid
- Water Solubility
- 5.163 g/L · 5.163g/L at 24℃
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
H312 (99.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P317, P321, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 256 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Cyclohexanemethanol, .alpha.-methyl-
Status: Active Update: 16-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24963
1-Cyclohexylethanol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (99.2%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- GV5776500
- hs_code
- 29061900
- Toxicity
- rabbit,LDLo,skin,1gm/kg (1000mg/kg),LUNGS, THORAX, OR RESPIRATION: OTHER CHANGESBEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)LIVER: OTHER CHANGES,National Technical Information Service. Vol. OTS0545755,
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS06
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 1 consumer products that contain 1-Cyclohexylethanol in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationCyclohexanemethanol, .alpha.-methyl-: ACTIVE
Applications
Uses1-Cyclohexylethanol undergoes photocatalytic oxidation (PCO) using nanoparticles titanium dioxide (TiO2-P25) as a semiconductor photocatalyst in acetonitrile, under aerated conditions. It forms cyclohexylethanols by undergoing catalytic ring hydrogenation over several noble metal catalysts supported on charcoal, or on γ-alumina in supercritical carbon dioxide.
General Description1-Cyclohexylethanol undergoes photocatalytic oxidation (PCO) using nanoparticles titanium dioxide (TiO2-P25) as a semiconductor photocatalyst in acetonitrile, under aerated conditions. It forms cyclohexylethanols by undergoing catalytic ring hydrogenation over several noble metal catalysts supported on charcoal, or on γ-alumina in supercritical carbon dioxide.
Upstream & downstream products
Downstream products
Suppliers78 total
湖北永阔科技有限公司
Related reactions
18 records
Compound notes
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