Benzenepentadecanoicacid, β,β-dimethyl- supplier

Name
3,3-DIMETHYL-15-PHENYLPENTADECANOIC ACID
EINECS
CAS No. 104426-54-2
Density 0.95 g/cm³
Solubility
Melting Point 39-40 °C
Formula C₂₃H₃₈O₂
Boiling Point 471.5 °C at 760 mmHg
Molecular Weight 346.55
Flash Point 368 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 15-Phenyl-3,3-dimethyl-pentadecanoic acid;
PSA 37.30000
LogP 7.02110

Benzenepentadecanoicacid, β,β-dimethyl- Specification

The Benzenepentadecanoicacid, β,β-dimethyl-, with the CAS registry number 104426-54-2, is also known as 15-Phenyl-3,3-dimethyl-pentadecanoic acid. This chemical's molecular formula is C₂₃H₃₈O₂ and molecular weight is 346.55. What's more, its systematic name is 3,3-dimethyl-15-phenylpentadecanoic acid.

Physical properties of Benzenepentadecanoicacid, β,β-dimethyl- are: (1)ACD/LogP: 8.71; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.94; (4)ACD/LogD (pH 7.4): 6.15; (5)ACD/BCF (pH 5.5): 421063.13; (6)ACD/BCF (pH 7.4): 6810.44; (7)ACD/KOC (pH 5.5): 223798.34; (8)ACD/KOC (pH 7.4): 3619.8; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 106.82 cm³; (15)Molar Volume: 364.5 cm³; (16)Polarizability: 42.34×10^-24cm³; (17)Surface Tension: 36.7 dyne/cm; (18)Density: 0.95 g/cm³; (19)Flash Point: 368 °C; (20)Enthalpy of Vaporization: 77.35 kJ/mol; (21)Boiling Point: 471.5 °C at 760 mmHg; (22)Vapour Pressure: 1.08×10^-9 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(C)(C)CCCCCCCCCCCCc1ccccc1
(2)InChI: InChI=1/C23H38O2/c1-23(2,20-22(24)25)19-15-10-8-6-4-3-5-7-9-12-16-21-17-13-11-14-18-21/h11,13-14,17-18H,3-10,12,15-16,19-20H2,1-2H3,(H,24,25)
(3)InChIKey: IIXIPDOWHXYAKB-UHFFFAOYAT

Product Name

3,3-DIMETHYL-15-PHENYLPENTADECANOIC ACID

Benzenepentadecanoicacid, β,β-dimethyl- Specification

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