1,5-Pentanediol,3-phenyl-3-propyl- supplier

Name
3-phenyl-3-propylpentane-1,5-diol
EINECS 280-696-2
CAS No. 83763-12-6
Density 1.023 g/cm³
Solubility
Melting Point
Formula C₁₄H₂₂O₂
Boiling Point 384.8 °C at 760 mmHg
Molecular Weight 222.327
Flash Point 181 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC 118107;3-Phenyl-3-propyl-1,5-pentanediol;3-phenyl-3-propylpentane-1,5-diol;
PSA 40.46000
LogP 2.48930

1,5-Pentanediol,3-phenyl-3-propyl- Specification

The CAS register number of 1,5-Pentanediol,3-phenyl-3-propyl- is 83763-12-6. It also can be called as 3-Phenyl-3-propyl-1,5-pentanediol and the IUPAC name about this chemical is 3-phenyl-3-propylpentane-1,5-diol. The molecular formula about this chemical is C₁₄H₂₂O₂ and the molecular weight is 222.32.

Physical properties about 1,5-Pentanediol,3-phenyl-3-propyl- are: (1)ACD/LogP: 2.31; (2)ACD/LogD (pH 5.5): 2.31; (3)ACD/LogD (pH 7.4): 2.31; (4)ACD/BCF (pH 5.5): 33.42; (5)ACD/BCF (pH 7.4): 33.42; (6)ACD/KOC (pH 5.5): 429.06; (7)ACD/KOC (pH 7.4): 429.06; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 18.46 Å²; (12)Index of Refraction: 1.522; (13)Molar Refractivity: 66.24 cm³; (14)Molar Volume: 217.1 cm³; (15)Polarizability: 26.26x10^-24cm³; (16)Surface Tension: 40.5 dyne/cm; (17)Density: 1.023 g/cm³; (18)Flash Point: 181 °C; (19)Enthalpy of Vaporization: 66.82 kJ/mol; (20)Boiling Point: 384.8 °C at 760 mmHg; (21)Vapour Pressure: 1.31E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCC(c1ccccc1)(CCO)CCC
(2)InChI: InChI=1/C14H22O2/c1-2-8-14(9-11-15,10-12-16)13-6-4-3-5-7-13/h3-7,15-16H,2,8-12H2,1H3
(3)InChIKey: RCNZXFQYVXUHBN-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C14H22O2/c1-2-8-14(9-11-15,10-12-16)13-6-4-3-5-7-13/h3-7,15-16H,2,8-12H2,1H3
(5)Std. InChIKey: RCNZXFQYVXUHBN-UHFFFAOYSA-N

Product Name

3-phenyl-3-propylpentane-1,5-diol

1,5-Pentanediol,3-phenyl-3-propyl- Specification

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