Benzaldehyde,3-[4-(1,1-dimethylethyl)phenoxy]- supplier

Name
3-(4-TERT-BUTYLPHENOXY)BENZALDEHYDE
EINECS 274-109-9
CAS No. 69770-23-6
Article Data2
CAS DataBase
Density 1.066 g/cm³
Solubility
Melting Point
Formula C₁₇H₁₈O₂
Boiling Point 377 °C at 760 mmHg
Molecular Weight 254.329
Flash Point 158.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(4-tert-Butylphenoxy)benzaldehyde;3-[(4-tert-Butylphenyl)oxy]benzaldehyde;3-[4-(1,1-Dimethylethyl)phenoxy]benzaldehyde;benzaldehyde, 3-[4-(1,1-dimethylethyl)phenoxy]-;
PSA 26.30000
LogP 4.58890

Benzaldehyde,3-[4-(1,1-dimethylethyl)phenoxy]- Specification

The Benzaldehyde,3-[4-(1,1-dimethylethyl)phenoxy]-, with the CAS registry number 69770-23-6 and EINECS registry number 274-109-9, has the systematic name and IUPAC name of 3-(4-tert-butylphenoxy)benzaldehyde. It belongs to the following product categories: Aldehydes; C10 to C21; Carbonyl Compounds. And the molecular formula of the chemical is C₁₇H₁₈O₂.

The characteristics of Benzaldehyde,3-[4-(1,1-dimethylethyl)phenoxy]- are as followings: (1)ACD/LogP: 5.07; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.07; (4)ACD/LogD (pH 7.4): 5.07; (5)ACD/BCF (pH 5.5): 4199.52; (6)ACD/BCF (pH 7.4): 4199.52; (7)ACD/KOC (pH 5.5): 13648.34; (8)ACD/KOC (pH 7.4): 13648.34; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 77.83 cm³; (15)Molar Volume: 238.3 cm³; (16)Polarizability: 30.85×10^-24cm³; (17)Surface Tension: 37.9 dyne/cm; (18)Density: 1.066 g/cm³; (19)Flash Point: 158.7 °C; (20)Enthalpy of Vaporization: 62.47 kJ/mol; (21)Boiling Point: 377 °C at 760 mmHg; (22)Vapour Pressure: 6.98E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc2cc(Oc1ccc(cc1)C(C)(C)C)ccc2
(2)InChI: InChI=1/C17H18O2/c1-17(2,3)14-7-9-15(10-8-14)19-16-6-4-5-13(11-16)12-18/h4-12H,1-3H3
(3)InChIKey: YZIHNHLGGMSWAD-UHFFFAOYAB

Product Name

3-(4-TERT-BUTYLPHENOXY)BENZALDEHYDE

Benzaldehyde,3-[4-(1,1-dimethylethyl)phenoxy]- Specification

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