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75513-56-3

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Basic Information
CAS No.: 75513-56-3
Name: METHYL 5-METHYL-2-HEXENOATE
Article Data: 11
Molecular Structure:
Molecular Structure of 75513-56-3 (METHYL 5-METHYL-2-HEXENOATE)
Formula: C8H14O2
Molecular Weight: 142.198
Synonyms: 2-Hexenoicacid, 5-methyl-, methyl ester, (E)-;Methyl 5-methyl-2-hexenoate;5-Methyl-2-hexenoic acid methyl ester;
EINECS: -0
Density: 0.899 g/cm3
Boiling Point: 166.4 °C at 760 mmHg
Flash Point: 57.4 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
Transport Information: 3272
PSA: 26.30000
LogP: 1.76170
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Specification

The CAS register number of 2-Hexenoicacid, 5-methyl-, methyl ester, (2E)- is 75513-56-3. It also can be called as 5-Methyl-2-hexenoic acid methyl ester and the IUPAC name about this chemical is methyl (E)-5-methylhex-2-enoate. The molecular formula about this chemical is C8H14O2 and the molecular weight is 142.2.

Physical properties about 2-Hexenoicacid, 5-methyl-, methyl ester, (2E)- are: (1)ACD/LogP: 2.73; (2)ACD/LogD (pH 5.5): 2.73; (3)ACD/LogD (pH 7.4): 2.73; (4)ACD/BCF (pH 5.5): 69.53; (5)ACD/BCF (pH 7.4): 69.53; (6)ACD/KOC (pH 5.5): 724.81; (7)ACD/KOC (pH 7.4): 724.81; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.43; (12)Molar Refractivity: 40.9 cm3; (13)Molar Volume: 158 cm3; (14)Polarizability: 16.21x10-24cm3; (15)Surface Tension: 26.8 dyne/cm; (16)Density: 0.899 g/cm3; (17)Flash Point: 57.4 °C; (18)Enthalpy of Vaporization: 40.29 kJ/mol; (19)Boiling Point: 166.4 °C at 760 mmHg; (20)Vapour Pressure: 1.79 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin and it may cause inflammation to the skin or other mucous membranes. If you want to use this chemical, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with oxide.  Usually it is not harmful to water, if no official permission, do not put materials into the permission surroundings.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)/C=C/CC(C)C
(2)InChI: InChI=1/C8H14O2/c1-7(2)5-4-6-8(9)10-3/h4,6-7H,5H2,1-3H3/b6-4+
(3)InChIKey: KNSMNULJDOTFMN-GQCTYLIABI
(4)Std. InChI: InChI=1S/C8H14O2/c1-7(2)5-4-6-8(9)10-3/h4,6-7H,5H2,1-3H3/b6-4+
(5)Std. InChIKey: KNSMNULJDOTFMN-GQCTYLIASA-N