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Cas Database |
| Name |
4-tert-Butylcyclohexanol |
EINECS | 202-676-4 |
| CAS No. | 98-52-2 | Density | 0.92 g/cm3 |
| PSA | 20.23000 | LogP | 2.58360 |
| Solubility | water: <1 g/L (20 oC) | Melting Point |
60-69 °C |
| Formula | C10H20O | Boiling Point | 214.2 °C at 760 mmHg |
| Molecular Weight | 156.268 | Flash Point | 105 °C |
| Transport Information | N/A | Appearance | white powder or granules |
| Safety | 24/25 | Risk Codes | 23/25-33-50/53 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Cyclohexanol,4-tert-butyl- (6CI,7CI,8CI);4-(1,1-Dimethylethyl)cyclohexanol;4-tert-Butyl-1-cyclohexanol;NSC 404197; |
Article Data | 132 |
4-tert-Butylcyclohexanol Chemical Properties
Product Name: 4-tert-Butylcyclohexanol (CAS NO.98-52-2)
Molecular Formula: C10H20O
Molar mass: 156.2652g/mol
Density: 0.92 g/cm3
Flash Point: 105 °C
Boiling Point: 214.2 °C at 760 mmHg
Index of Refraction: 1.471
Vapour Pressure: 0.0346 mmHg at 25°C
Melting point: 60-69°C
Water solubility: <1 g/L (20°C)
Index of Refraction: 1.471
Molar Refractivity: 47.45 cm3
Molar Volume: 169.6 cm3
XLogP3-AA: 3
H-Bond Donor: 1
H-Bond Acceptor: 1
Structure Descriptors of 4-tert-Butylcyclohexanol (CAS NO.98-52-2):
IUPAC Name: 4-tert-butylcyclohexan-1-ol
Canonical SMILES: CC(C)(C)C1CCC(CC1)O
InChI: InChI=1S/C10H20O/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9,11H,4-7H2,1-3H3
InChIKey: CCOQPGVQAWPUPE-UHFFFAOYSA-N
Product Categories: Oxygen Compounds; Alcohols
4-tert-Butylcyclohexanol Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 50mg/kg (50mg/kg) | National Technical Information Service. Vol. AD277-689, | |
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 12, Pg. 833, 1974. | |
| rat | LD50 | oral | 4200mg/kg (4200mg/kg) | Food and Cosmetics Toxicology. Vol. 12, Pg. 833, 1974. |
4-tert-Butylcyclohexanol Consensus Reports
Reported in EPA TSCA Inventory.
4-tert-Butylcyclohexanol Safety Profile
Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALCOHOL, ALCOHOLS, C6-12; ALCOHOLS, C9-11; ALCOHOLS, C12-13, ETHOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED; ALCOHOLS, C12-16, ETHOXYLATED; ALCOHOLS, C14-15, ETHOXYLATED; ALCOHOLS, C16-18, ETHOXYLATED; ALCOHOLS, C8-10, ETHOXYLATED PROPOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED PROPOXYLATED; ALCOHOLS, N.O.S.
Safety Information of 4-tert-Butylcyclohexanol (CAS NO.98-52-2):
Safety Statements:
24: Avoid contact with skin
25: Avoid contact with eyes
4-tert-Butylcyclohexanol Specification
4-tert-Butylcyclohexanol , its CAS NO. is 98-52-2, the synonyms are Cyclohexanol, 4-(1,1-dimethylethyl)- ; p-tert-Butylcyclohexanol ; 4-tert-Butylcyclohexanol ; Cyclohexanol, 4-(1,1-dimethylethyl)- ; Cyclohexanol, 4-tert-butyl- .
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