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| CAS No.: | 1940-19-8 |
|---|---|
| Name: | 1-VINYLCYCLOHEXANOL 97 |
| Article Data: | 94 |
| Molecular Structure: | |
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| Formula: | C8H14O |
| Molecular Weight: | 126.199 |
| Synonyms: | Cyclohexanol,1-vinyl- (6CI,7CI,8CI);1-Ethenylcyclohexanol;1-Hydroxy-1-vinylcyclohexane;1-Vinyl-1-cyclohexanol;1-Vinylcyclohexanol;1-Vinylcyclohexyl alcohol;NSC62184; |
| EINECS: | 217-718-7 |
| Density: | 1.028 g/cm3 |
| Boiling Point: | 175 °C at 760 mmHg |
| Flash Point: | 66.9 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 20.23000 |
| LogP: | 1.86760 |
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- Total:14 Page 1 of 1 1
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Specification
The Cyclohexanol,1-ethenyl-, with the CAS registry number 1940-19-8, is also known as 1-Vinylcyclohexanol. It belongs to the product categories of Alkynes; Organic Building Blocks; Terminal. Its EINECS registry number is 217-718-7. This chemical's molecular formula is C8H14O and molecular weight is 126.19616. What's more, its IUPAC name is 1-Ethenylcyclohexan-1-ol. It should be put in a cool place.
Physical properties about Cyclohexanol,1-ethenyl-: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.06; (4)ACD/LogD (pH 7.4): 2.06; (5)ACD/BCF (pH 5.5): 21.54; (6)ACD/BCF (pH 7.4): 21.54; (7)ACD/KOC (pH 5.5): 313.31; (8)ACD/KOC (pH 7.4): 313.31; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 39.94 cm3; (15)Molar Volume: 122.7 cm3; (16)Surface Tension: 38.7 dyne/cm; (17)Density: 1.028 g/cm3; (18)Flash Point: 66.9 °C; (19)Enthalpy of Vaporization: 47.89 kJ/mol; (20)Boiling Point: 175 °C at 760 mmHg; (21)Vapour Pressure: 0.362 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: OC1(\C=C)CCCCC1
(2) InChI: InChI=1/C8H14O/c1-2-8(9)6-4-3-5-7-8/h2,9H,1,3-7H2
(3) InChIKey: ZXKHOVDDJMJXQP-UHFFFAOYAD
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 770mg/kg (770mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 161, 1955. Link to PubMed |