-
Name
cyclobutyrol
- EINECS
- CAS No. 512-16-3
- Article Data13
- CAS DataBase
- Density 1.128g/cm3
- Solubility
- Melting Point 81-82°
- Formula C10H18 O3
- Boiling Point 334.1°Cat760mmHg
- Molecular Weight 186.251
- Flash Point 170.1°C
- Transport Information
- Appearance
- Safety Moderately toxic by intravenous and subcutaneous routes. Mildly toxic by ingestion. When heated to decomposition it emits acrid smoke and fumes.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1-Hydroxy-a-ethylcyclohexylacetic acid;Cyclobutyrol; JL 130; a-(1-Hydroxycyclohexyl)butyric acid; a-Ethyl-1-hydroxycyclohexaneacetic acid
- PSA 57.53000
- LogP 1.79240
Cyclobutyrol Chemical Properties
Product Name: Cyclobutyrol (CAS NO.512-16-3)
Molecular Formula: C10H18O3
Molecular Weight: 186.28g/mol
Mol File: 512-16-3.mol
Boiling point: 334.1 °C at 760 mmHg
Flash Point: 170.1°C
Density: 1.128g/cm3
Surface Tension: 47.9 dyne/cm
Enthalpy of Vaporization: 66.85 kJ/mol
Vapour Pressure: 9.25E-06 mmHg at 25°C
XLogP3-AA: 2.1
H-Bond Donor: 2
H-Bond Acceptor: 3
IUPAC Name: 2-(1-hydroxycyclohexyl)butanoic acid
Canonical SMILES: CCC(C(=O)O)C1(CCCCC1)O
InChI: InChI=1S/C10H18O3/c1-2-8(9(11)12)10(13)6-4-3-5-7-10/h8,13H,2-7H2,1H3,(H,
11,12)
InChIKey: NIVFTEMPSCMWDE-UHFFFAOYSA-N
Cyclobutyrol Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 2900mg/kg (2900mg/kg) | Drugs in Japan Vol. 6, Pg. 313, 1982. | |
| mouse | LD50 | oral | > 10gm/kg (10000mg/kg) | Drugs in Japan Vol. 6, Pg. 313, 1982. | |
| mouse | LD50 | subcutaneous | 4200mg/kg (4200mg/kg) | Drugs in Japan Vol. 6, Pg. 313, 1982. | |
| rabbit | LD50 | intravenous | 1920mg/kg (1920mg/kg) | Drugs in Japan Vol. 6, Pg. 313, 1982. | |
| rat | LD50 | intramuscular | > 1gm/kg (1000mg/kg) | Drugs in Japan Vol. 6, Pg. 313, 1982. | |
| rat | LD50 | intravenous | 1760mg/kg (1760mg/kg) | Drugs in Japan Vol. 6, Pg. 313, 1982. | |
| rat | LD50 | oral | 4820mg/kg (4820mg/kg) | Drugs in Japan Vol. 6, Pg. 313, 1982. | |
| rat | LD50 | subcutaneous | 3230mg/kg (3230mg/kg) | Drugs in Japan Vol. 6, Pg. 313, 1982. |
Cyclobutyrol Consensus Reports
Reported in EPA TSCA Inventory.
Cyclobutyrol Safety Profile
Moderately toxic by intravenous and subcutaneous routes. Mildly toxic by ingestion. When heated to decomposition it emits acrid smoke and fumes.
Cyclobutyrol Specification
Cyclobutyrol ,its CAS NO. is 512-16-3,the synonyms is (RS)-2-(1-Hydroxycyclohexyl)buttersaeure ; 1-Cyclohexanol-alpha-butyric acid ; 1-Hydroxy-alpha-ethylcyclohexylacetic acid ; 4-10-00-00049 (Beilstein Handbook Reference) ; BRN 2209058 ; Ciclobutirol ; EINECS 208-138-5 ; Hebucol ; JL 130 ; UNII-8T4L120N6M ; alpha-(1-Hydroxycyclohexyl)butyric acid ; alpha-Ethyl-1-hydroxycyclohexaneacetic acid .
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