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2-Hexenoicacid, 5-methyl-, methyl ester, (2E)-

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Name

2-Hexenoicacid, 5-methyl-, methyl ester, (2E)-

EINECS -0
CAS No. 75513-56-3 Density 0.899 g/cm3
PSA 26.30000 LogP 1.76170
Solubility N/A Melting Point N/A
Formula C8H14O2 Boiling Point 166.4 °C at 760 mmHg
Molecular Weight 142.198 Flash Point 57.4 °C
Transport Information 3272 Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 75513-56-3 (METHYL 5-METHYL-2-HEXENOATE) Hazard Symbols IrritantXi
Synonyms

2-Hexenoicacid, 5-methyl-, methyl ester, (E)-;Methyl 5-methyl-2-hexenoate;5-Methyl-2-hexenoic acid methyl ester;

Article Data 11

2-Hexenoicacid, 5-methyl-, methyl ester, (2E)- 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

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