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CAS No.: | 2396-78-3 |
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Name: | Methyl hex-3-enoate |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C7H12O2 |
Molecular Weight: | 128.171 |
Synonyms: | Hydrosorbicacid, methyl ester (6CI);Methyl 3-hexenoate;Methyl hex-3-enoate; |
EINECS: | 219-256-1 |
Density: | 0.907 g/cm3 |
Melting Point: | -68oC |
Boiling Point: | 145.8 °C at 760 mmHg |
Flash Point: | 55.7 °C |
Solubility: | Insoluble in water; soluble in alcohol |
Appearance: | Clear colorless to faintly yellow liquid |
Hazard Symbols: | R10:; |
Risk Codes: | 10 |
Safety: | 16 |
Transport Information: | UN 3272 |
PSA: | 26.30000 |
LogP: | 1.51570 |
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