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Cas Database |
| Name |
Methyl hex-3-enoate |
EINECS | 219-256-1 |
| CAS No. | 2396-78-3 | Density | 0.907 g/cm3 |
| PSA | 26.30000 | LogP | 1.51570 |
| Solubility | Insoluble in water; soluble in alcohol | Melting Point |
-68oC |
| Formula | C7H12O2 | Boiling Point | 145.8 °C at 760 mmHg |
| Molecular Weight | 128.171 | Flash Point | 55.7 °C |
| Transport Information | UN 3272 | Appearance | Clear colorless to faintly yellow liquid |
| Safety | 16 | Risk Codes | 10 |
| Molecular Structure |
|
Hazard Symbols | R10:; |
| Synonyms |
Hydrosorbicacid, methyl ester (6CI);Methyl 3-hexenoate;Methyl hex-3-enoate; |
Article Data | 10 |
Methyl hex-3-enoate Specification
The Methyl hex-3-enoate with the cas number 2396-78-3 is also called 3-Hexenoic acid, methylester. The IUPAC name is methyl (E)-hex-3-enoate. Its EINECS registry number is 219-256-1. The molecular formula is C7H12O2. This chemical belongs to the following product categories: (1)Alphabetical Listings; (2)Flavors and Fragrances; (3)M-N.
The properties of the chemical are: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.427; (8)Molar Refractivity: 36.31 cm3; (9)Molar Volume: 141.1 cm3; (10)Polarizability: 14.39×10-24cm3; (11)Surface Tension: 27.2 dyne/cm; (12)Enthalpy of Vaporization: 38.28 kJ/mol; (13)Vapour Pressure: 4.78 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C/C=C/CC
(2)InChI: InChI=1/C7H12O2/c1-3-4-5-6-7(8)9-2/h4-5H,3,6H2,1-2H3/b5-4+
(3)InChIKey: XEAIHUDTEINXFG-SNAWJCMRBC
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