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2-Ethyl-5-methylthiophene

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Name

2-Ethyl-5-methylthiophene

EINECS N/A
CAS No. 40323-88-4 Density 0.986 g/cm3
PSA 28.24000 LogP 2.61890
Solubility N/A Melting Point N/A
Formula C7H10S Boiling Point 160 °C at 760 mmHg
Molecular Weight 126.222 Flash Point 31.4 °C
Transport Information UN 1993 Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 40323-88-4 (2-Ethyl-5-methylthiophene) Hazard Symbols Xi
Synonyms

2-Ethyl-5-methylthiophen;2-methyl-5-ethylthiophene;2-ethyl-5-methyl-thiophene;2-methyl-5-ethyli-thiophene;5-Methyl-2-ethylthiophene;2-methyl-5-butylfuran;2-Aethyl-5-methyl-thiophen;Thiophene,2-ethyl-5-methyl;

Article Data 1

2-Ethyl-5-methylthiophene Specification

The 2-Ethyl-5-methylthiophene, with the CAS registry number 40323-88-4, is also called thiophene, 2-ethyl-5-methyl-. It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C7H10S.

The characteristics of 2-Ethyl-5-methylthiophene are as followings: (1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.35; (4)ACD/LogD (pH 7.4): 3.35; (5)ACD/BCF (pH 5.5): 206.22; (6)ACD/BCF (pH 7.4): 206.22; (7)ACD/KOC (pH 5.5): 1578.36; (8)ACD/KOC (pH 7.4): 1578.36; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 28.24 Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 39.01 cm3; (15)Molar Volume: 128 cm3; (16)Polarizability: 15.46×10-24cm3; (17)Surface Tension: 32 dyne/cm; (18)Density: 0.986 g/cm3; (19)Flash Point: 31.4 °C; (20)Enthalpy of Vaporization: 38.03 kJ/mol; (21)Boiling Point: 160 °C at 760 mmHg; (22)Vapour Pressure: 3.17 mmHg at 25°C.

Preparation of 2-Ethyl-5-methylthiophene: This chemical can be prepared by 2-ethyl-5-methyl-furan. The reaction will need reagent H2S and HCl, and the menstruum acetic acid. The yield is about 73%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: s1c(ccc1CC)C
(2)InChI: InChI=1/C7H10S/c1-3-7-5-4-6(2)8-7/h4-5H,3H2,1-2H3
(3)InChIKey: VOIVNYVBGCJFRW-UHFFFAOYAP

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