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| CAS No.: | 5389-87-7 |
|---|---|
| Name: | GERANYL CHLORIDE |
| Article Data: | 84 |
| Molecular Structure: | |
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| Formula: | C10H17Cl |
| Molecular Weight: | 172.698 |
| Synonyms: | 2,6-Octadiene,1-chloro-3,7-dimethyl-, (E)- (8CI);(2E)-3,7-Dimethylocta-2,6-dien-1-ylchloride;(E)-1-Chloro-3,7-dimethyl-2,6-octadiene;(E)-8-Chloro-2,6-dimethyl-2,6-octadiene;Geranyl chloride;NSC 177220;trans-1-Chloro-3,7-dimethyl-2,6-octadiene; |
| EINECS: | 224-783-5 |
| Density: | 0.9 g/cm3 |
| Boiling Point: | 227.2 °C at 760 mmHg |
| Flash Point: | 90 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 0.00000 |
| LogP: | 3.91790 |
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- Total:35 Page 1 of 1 1
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Specification
The 2,6-Octadiene,1-chloro-3,7-dimethyl-, (2E)-, with the CAS registry number 5389-87-7, is also known as alpha,omega-Octadiene. This chemical's molecular formula is C10H17Cl and molecular weight is 172.101878. Its IUPAC name is called 1-chloro-3,7-dimethylocta-2,6-diene.
Physical properties of 2,6-Octadiene,1-chloro-3,7-dimethyl-, (2E)-: (1)ACD/LogP: 4.76; (2)ACD/LogD (pH 5.5): 4.76; (3)ACD/LogD (pH 7.4): 4.76; (4)ACD/BCF (pH 5.5): 2428.45; (5)ACD/BCF (pH 7.4): 2428.45; (6)ACD/KOC (pH 5.5): 9221.76; (7)ACD/KOC (pH 7.4): 9221.76; (8)#Freely Rotating Bonds: 4; (9)Index of Refraction: 1.464; (10)Molar Refractivity: 53.02 cm3; (11)Molar Volume: 191.8 cm3; (12)Surface Tension: 26.5 dyne/cm; (13)Density: 0.9 g/cm3; (14)Flash Point: 90 °C; (15)Enthalpy of Vaporization: 44.49 kJ/mol; (16)Boiling Point: 227.2 °C at 760 mmHg; (17)Vapour Pressure: 0.118 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=CCCC(=CCCl)C)C
(2)InChI: InChI=1S/C10H17Cl/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8H2,1-3H3
(3)InChIKey: WLAUCMCTKPXDIY-UHFFFAOYSA-N