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| CAS No.: | 2525-05-5 |
|---|---|
| Name: | 4-Butylpyrocatechol |
| Molecular Structure: | |
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| Formula: | C10H14O2 |
| Molecular Weight: | 166.22 |
| Synonyms: | Pyrocatechol,4-butyl- (6CI,7CI,8CI);4-Butylpyrocatechol; |
| Density: | 1.093 g/cm3 |
| Boiling Point: | 300.347 °C at 760 mmHg |
| Flash Point: | 144.209 °C |
| PSA: | 40.46000 |
| LogP: | 2.44040 |
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Specification
The 4-Butylpyrocatechol is an organic compound with the formula C10H14O2. The systematic name of this chemical is 4-butylbenzene-1,2-diol. With the CAS registry number 2525-05-5, it is also named as 1,2-benzenediol, 4-butyl-.
Physical properties about 4-Butylpyrocatechol are: (1)ACD/LogP: 2.86; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 100; (5)ACD/BCF (pH 7.4): 99; (6)ACD/KOC (pH 5.5): 940; (7)ACD/KOC (pH 7.4): 935; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 40.46 Å2; (12)Index of Refraction: 1.555; (13)Molar Refractivity: 48.831 cm3; (14)Molar Volume: 152.124 cm3; (15)Polarizability: 19.358×10-24cm3; (16)Surface Tension: 44.754 dyne/cm; (17)Density: 1.093 g/cm3; (18)Flash Point: 144.209 °C; (19)Enthalpy of Vaporization: 56.202 kJ/mol; (20)Boiling Point: 300.347 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(CCCC)cc1O
(2)InChI: InChI=1/C10H14O2/c1-2-3-4-8-5-6-9(11)10(12)7-8/h5-7,11-12H,2-4H2,1H3
(3)InChIKey: LAVPWYRENKSWJM-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C10H14O2/c1-2-3-4-8-5-6-9(11)10(12)7-8/h5-7,11-12H,2-4H2,1H3
(5)Std. InChIKey: LAVPWYRENKSWJM-UHFFFAOYSA-N