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CAS No.: | 512-16-3 |
---|---|
Name: | cyclobutyrol |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C10H18 O3 |
Molecular Weight: | 186.251 |
Synonyms: | 1-Hydroxy-a-ethylcyclohexylacetic acid;Cyclobutyrol; JL 130; a-(1-Hydroxycyclohexyl)butyric acid; a-Ethyl-1-hydroxycyclohexaneacetic acid |
Density: | 1.128g/cm3 |
Melting Point: | 81-82° |
Boiling Point: | 334.1°Cat760mmHg |
Flash Point: | 170.1°C |
Safety: | Moderately toxic by intravenous and subcutaneous routes. Mildly toxic by ingestion. When heated to decomposition it emits acrid smoke and fumes. |
PSA: | 57.53000 |
LogP: | 1.79240 |
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
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. |
Reported in EPA TSCA Inventory.
Moderately toxic by intravenous and subcutaneous routes. Mildly toxic by ingestion. When heated to decomposition it emits acrid smoke and fumes.
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 .