3-Methyl-5-phenylpentan-1-ol supplier

Name
1-PENTANOL, 3-METHYL-5-PHENYL
EINECS 259-461-3
CAS No. 55066-48-3
Article Data13
CAS DataBase
Density 0.957 g/cm³
Solubility 390mg/L at 20℃
Melting Point
Formula C₁₂H₁₈O
Boiling Point 260 °C at 760 mmHg
Molecular Weight 178.274
Flash Point 101.8 °C
Transport Information
Appearance colorless clear liquid
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Methyl-5-phenyl-1-pentanol;3-Methyl-5-phenylpentanol;5-Phenyl-3-methylpentanol;Mefrosol;Phenoxanol;
PSA 20.23000
LogP 2.63770

3-Methyl-5-phenylpentan-1-ol Specification

The 3-Methyl-5-phenylpentan-1-ol, with the CAS registry number 55066-48-3 and EINECS registry number 259-461-3, is also called 3-Methyl-5-phenyl-n-pentanol. And the molecular formula of the chemical is C₁₂H₁₈O.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.15; (4)ACD/LogD (pH 7.4): 3.15; (5)ACD/BCF (pH 5.5): 144.73; (6)ACD/BCF (pH 7.4): 144.73; (7)ACD/KOC (pH 5.5): 1225.03; (8)ACD/KOC (pH 7.4): 1225.03; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 55.82 cm³; (15)Molar Volume: 186.1 cm³; (16)Polarizability: 22.13×10^-24cm³; (17)Surface Tension: 36.3 dyne/cm; (18)Density: 0.957 g/cm³; (19)Flash Point: 101.8 °C; (20)Enthalpy of Vaporization: 52.58 kJ/mol; (21)Boiling Point: 260 °C at 760 mmHg; (22)Vapour Pressure: 0.00637 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCCC(CCc1ccccc1)C
(2)InChI: InChI=1/C12H18O/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
(3)InChIKey: OXYRENDGHPGWKV-UHFFFAOYAA

Product Name

1-PENTANOL, 3-METHYL-5-PHENYL

3-Methyl-5-phenylpentan-1-ol Specification

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