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25550-14-5

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Basic Information
CAS No.: 25550-14-5
Name: 4-ETHYLTOLUENE
Molecular Structure:
Molecular Structure of 25550-14-5 (4-ETHYLTOLUENE)
Formula: C9H12
Molecular Weight: 120.19
Synonyms: 1-Ethyl-3-methylbenzol;
EINECS: 210-761-2
Density: 0.867 g/cm3
Melting Point: -62 °C
Boiling Point: 161.1 °C at 760 mmHg
Flash Point: 38.3 °C
Solubility: 95 mg l-1 (e)
Hazard Symbols: HarmfulXn
Risk Codes: 10-65
Safety: 23-24/25-62
Transport Information: UN 3295
PSA: 0.00000
LogP: 2.55740
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Specification

The Benzene, ethylmethyl-, with the CAS registry number of 25550-14-5, is also known as 1-Ethyl-3-methylbenzol. Its EINECS registry number is 210-761-2. This chemical's molecular formula is C9H12 and molecular weight is 120.19. What's more, its IUPAC name is 1-Ethyl-3-methylbenzene.

Physical properties about the Benzene, ethylmethyl- are: (1)ACD/LogP: 3.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.67; (4)ACD/LogD (pH 7.4): 3.67; (5)ACD/BCF (pH 5.5): 362.28; (6)ACD/BCF (pH 7.4): 362.28; (7)ACD/KOC (pH 5.5): 2362.46; (8)ACD/KOC (pH 7.4): 2362.46; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 40.62 cm3; (15)Molar Volume: 138.5 cm3; (16)Surface Tension: 29 dyne/cm; (17)Density: 0.867 g/cm3; (18)Flash Point: 38.3 °C; (19)Enthalpy of Vaporization: 38.13 kJ/mol; (20)Boiling Point: 161.1 °C at 760 mmHg; (21)Vapour Pressure: 3.01 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is flammable. You should not breathe the gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). It may cause lung damage if swallowed. And you should avoid contacting with skin and eyes. Besides, if swallowed, do not induce vomiting: seek medical advice immediately and show this container or label.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1CC)C
(2) InChI: InChI=1/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
(3) InChIKey: ZLCSFXXPPANWQY-UHFFFAOYAP