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Basic Information
CAS No.: 3522-86-9
Name: 4-TERT-BUTYL-5-CHLORO-2-HYDROXYBENZALDEHYDE
Molecular Structure:
Molecular Structure of 3522-86-9 (4-TERT-BUTYL-5-CHLORO-2-HYDROXYBENZALDEHYDE)
Formula: C10H14O
Molecular Weight: 150.221
Synonyms: Phenol,m-sec-butyl- (7CI,8CI);(?à)-3-sec-Butylphenol;3-(1-Methylpropyl)phenol;3-(2-Butyl)phenol;3-sec-Butylphenol;m-sec-Butylphenol;
Density: 0.972 g/cm3
Melting Point: 46.81°C (estimate)
Boiling Point: 239.4 °C at 760 mmHg
Flash Point: 114.4 °C
PSA: 37.30000
LogP: 3.15560
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Specification

The CAS register number of 4-tert-Butyl-5-chloro-2-hydroxybenzaldehyde is 3522-86-9. It also can be called as Phenol,3-(1-methylpropyl)- and the IUPAC name about this chemical is 3-butan-2-ylphenol. The molecular formula about this chemical is C10H14O and the molecular weight is 150.21756.

Physical properties about 4-tert-Butyl-5-chloro-2-hydroxybenzaldehyde are: (1)ACD/LogP: 3.35; (2)ACD/LogD (pH 5.5): 3.35; (3)ACD/LogD (pH 7.4): 3.35; (4)ACD/BCF (pH 5.5): 207.78; (5)ACD/BCF (pH 7.4): 207.32; (6)ACD/KOC (pH 5.5): 1586.89; (7)ACD/KOC (pH 7.4): 1583.35; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 9.23Å2; (12)Index of Refraction: 1.52; (13)Molar Refractivity: 46.95 cm3; (14)Molar Volume: 154.4 cm3; (15)Polarizability: 18.61x10-24cm3; (16)Surface Tension: 35.5 dyne/cm; (17)Enthalpy of Vaporization: 49.56 kJ/mol; (18)Boiling Point: 239.4 °C at 760 mmHg; (19)Vapour Pressure: 0.026 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc(ccc1)C(CC)C
(2)InChI: InChI=1/C10H14O/c1-3-8(2)9-5-4-6-10(11)7-9/h4-8,11H,3H2,1-2H3
(3)InChIKey: NBYBZLCUXTUWBA-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C10H14O/c1-3-8(2)9-5-4-6-10(11)7-9/h4-8,11H,3H2,1-2H3
(5)Std. InChIKey: NBYBZLCUXTUWBA-UHFFFAOYSA-N