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1,2-Benzenediol, 4-ethyl-

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Name

1,2-Benzenediol, 4-ethyl-

EINECS 214-397-5
CAS No. 1124-39-6 Density 1.159 g/cm3
Solubility Melting Point 37-40°C
Formula C8H10O2 Boiling Point 273.3 °C at 760 mmHg
Molecular Weight 138.16 Flash Point 134.1 °C
Transport Information Appearance
Safety 26-36/37/39 Risk Codes 22-36/37/38-41
Molecular Structure Molecular Structure of 1124-39-6 (1,2-Benzenediol, 4-ethyl-) Hazard Symbols HarmfulXn
Synonyms

1-Ethyl-3,4-benzenediol;Pyrocatechol,4-ethyl- (6CI,8CI);1-Ethyl-3,4-dihydroxybenzene;4-Ethylcatechol;4-Ethyl-1,2-benzenediol;Ethylcatechol;4-Ethylpyrocatechol;

 

1,2-Benzenediol, 4-ethyl- Specification

This chemical is called 1,2-Benzenediol, 4-ethyl-, and its systematic name is 4-ethylbenzene-1,2-diol. With the molecular formula of C8H10O2, its molecular weight is 138.16. The CAS registry number of this chemical is 1124-39-6. Product Categories: Aromatic Phenols. It should be sealed in the cool and dry place.

Other characteristics of the 1,2-Benzenediol, 4-ethyl- can be summarised as followings: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 15.57; (6)ACD/BCF (pH 7.4): 15.49; (7)ACD/KOC (pH 5.5): 248.33; (8)ACD/KOC (pH 7.4): 247.11; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 39.56 cm3; (15)Molar Volume: 119.1 cm3; (16)Polarizability: 15.68×10-24cm3; (17)Surface Tension: 48.2 dyne/cm; (18)Density: 1.159 g/cm3; (19)Flash Point: 134.1 °C; (20)Enthalpy of Vaporization: 53.22 kJ/mol; (21)Boiling Point: 273.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00346 mmHg at 25°C.

Production method of this chemical: The 1,2-Benzenediol, 4-ethyl- could be obtained by the reactant of 4-ethyl-1,2-dimethoxy-benzene. This reaction needs the reagents of acetic acid anhydride, aqueous HI.

 The 1,2-Benzenediol, 4-ethyl- could be obtained by the reactant of 4-ethyl-1,2-dimethoxy-benzene

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: Oc1ccc(cc1O)CC
2.InChI: InChI=1/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3
3.InChIKey: HFLGBNBLMBSXEM-UHFFFAOYAY

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