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365541-75-9

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Basic Information
CAS No.: 365541-75-9
Name: (S)-2-Benzyloxymethyl-3-methylbutan-1-ol
Article Data: 7
Molecular Structure:
Molecular Structure of 365541-75-9 ((S)-2-Benzyloxymethyl-3-methylbutan-1-ol)
Formula: C13H20O2
Molecular Weight: 208.301
Synonyms: (2S)-2-[(Benzyloxy)methyl]-3-methylbutan-1-ol;1-Butanol, 3-methyl-2-[(phenylmethoxy)methyl]-, (2S)-;
Density: 0.994 g/cm3
Boiling Point: 323.3 °C at 760 mmHg
Flash Point: 132.6 °C
PSA: 29.46000
LogP: 2.46770
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Specification

The (S)-2-Benzyloxymethyl-3-methylbutan-1-ol, with the CAS registry number 365541-75-9, is also known as (2S)-2-[(Benzyloxy)methyl]-3-methylbutan-1-ol. This chemical's molecular formula is C13H20O2 and formula weight is 208.30. What's more, its IUPAC name is called 1-butanol, 3-methyl-2-[(phenylmethoxy)methyl]-, (2S)-.

Physical properties of (S)-2-Benzyloxymethyl-3-methylbutan-1-ol: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 2.89; (5)ACD/BCF (pH 5.5): 93.25; (6)ACD/BCF (pH 7.4): 93.25; (7)ACD/KOC (pH 5.5): 894.28; (8)ACD/KOC (pH 7.4): 894.28; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.505; (13)Molar Refractivity: 62.16 cm3; (14)Molar Volume: 209.4 cm3; (15)Surface Tension: 36.2 dyne/cm; (16)Density: 0.994 g/cm3; (17)Flash Point: 132.6 °C; (18)Enthalpy of Vaporization: 59.67 kJ/mol; (19)Boiling Point: 323.3 °C at 760 mmHg; (20)Vapour Pressure: 0.000108 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)[C@@H](CO)COCc1ccccc1
(2)InChI: InChI=1/C13H20O2/c1-11(2)13(8-14)10-15-9-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3/t13-/m0/s1
(3)InChIKey: RXKVQAHKBRCRQK-ZDUSSCGKBB