CAS No.2396-78-3,Methyl hex-3-enoate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2396-78-3
Name:	Methyl hex-3-enoate
Article Data:	10

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

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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