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Geranyl chloride

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Name

Geranyl chloride

EINECS 224-783-5
CAS No. 5389-87-7 Density 0.9 g/cm3
PSA 0.00000 LogP 3.91790
Solubility N/A Melting Point N/A
Formula C10H17Cl Boiling Point 227.2 °C at 760 mmHg
Molecular Weight 172.698 Flash Point 90 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 5389-87-7 (GERANYL CHLORIDE) Hazard Symbols IrritantXi
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;

Article Data 84

Geranyl chloride 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

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