CAS No.162358-05-6,2-(4-Octylphenyl)ethanol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	162358-05-6
Name:	2-(4-Octylphenyl)ethanol
Article Data:	10

Formula:	C₁₆H₂₆O
Molecular Weight:	234.382
Synonyms:	Benzeneethanol, 4-octyl-;2-(4-Octylphenyl)ethan-1-ol;
Density:	0.932 g/cm³
Boiling Point:	306.257 °C at 760 mmHg
Flash Point:	116.222 °C
PSA:	20.23000
LogP:	4.12440

Synthetic route

: 2-(4-(oct-1-yn-1-yl)phenyl)-1-ethanol

: 162358-05-6
2-(4-Octylphenyl)ethyl alcohol

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen In ethyl acetate at 20℃; for 17h;	98%

: 162358-04-5
acetic acid 2-(4-octylphenyl)ethyl ester

: 162358-05-6
2-(4-Octylphenyl)ethyl alcohol

Conditions

Conditions	Yield
With sodium methylate In methanol at 20℃; for 8h;	93%
With sodium methylate In methanol for 6h; Reflux;	92%
With sodium methylate In methanol for 6h; Reflux;	92%

: 111-83-1
1-bromo-octane

: C28H25BrO

: 162358-05-6
2-(4-Octylphenyl)ethyl alcohol

Conditions

Conditions	Yield
Stage #1: 1-bromo-octane With iodine; magnesium In tetrahydrofuran for 1h; Inert atmosphere; Reflux; Stage #2: C28H25BrO With pyridine; dmap; sodium hydroxide Heating; Stage #3: With palladium 10% on activated carbon; hydrogen In tetrahydrofuran at 120℃; for 4h;	80%

: 111-83-1
1-bromo-octane

: 96044-43-8
4-(2-hydroxyethyl)benzyl bromide

: 162358-05-6
2-(4-Octylphenyl)ethyl alcohol

Conditions

Conditions	Yield
Stage #1: 1-bromo-octane With iodine; magnesium In diethyl ether for 1h; Inert atmosphere; Reflux; Stage #2: 4-(2-hydroxyethyl)benzyl bromide With sodium hydroxide In tetrahydrofuran at 110℃; for 4h; Temperature;	75%

: 17049-49-9
octylmagnesium bromide

: 712223-57-9
acetic acid 2-[4-(trifluoromethanesulfonyloxy)phenyl]ethyl ester

A: 162358-05-6
2-(4-Octylphenyl)ethyl alcohol

B: 162358-04-5
acetic acid 2-(4-octylphenyl)ethyl ester

Conditions

Conditions	Yield
With 1-methyl-pyrrolidin-2-one; iron(III)-acetylacetonate In tetrahydrofuran for 1h;	A 20% B 64%

...Expand

: 111-85-3
1-Chlorooctane

: 96044-43-8
4-(2-hydroxyethyl)benzyl bromide

: 162358-05-6
2-(4-Octylphenyl)ethyl alcohol

Conditions

Conditions	Yield
Stage #1: n-chlorooctane With iodine; magnesium In tetrahydrofuran for 1h; Inert atmosphere; Reflux; Stage #2: 4-(2-hydroxyethyl)benzyl bromide With sodium hydroxide In tetrahydrofuran at 120℃; for 4h;	20%

: 501-94-0
p-hydroxyphenethyl alcohol

: 162358-05-6
2-(4-Octylphenyl)ethyl alcohol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 98 percent / NaHSO4 on silica / hexane / 26 h / Heating 2: 94 percent / pyridine / CH2Cl2 / 1 h / 20 °C 3: 20 percent / Fe(acac)3; NMP / tetrahydrofuran / 1 h View Scheme

: 58556-55-1
2-(4-hydroxyphenyl)ethyl acetate

: 162358-05-6
2-(4-Octylphenyl)ethyl alcohol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 94 percent / pyridine / CH2Cl2 / 1 h / 20 °C 2: 20 percent / Fe(acac)3; NMP / tetrahydrofuran / 1 h View Scheme

: 111-64-8
n-octanoic acid chloride

: 162358-05-6
2-(4-Octylphenyl)ethyl alcohol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 43 percent / AlCl3 / 1,2-dichloro-ethane / 3 h / 20 °C 2: triethylsilane; TFA / 1,2-dichloro-ethane / 3 h / 20 °C 3: 3.40 g / NaOMe; MeOH / 2 h / Heating View Scheme
Multi-step reaction with 3 steps 1.1: aluminum (III) chloride / 1,2-dichloro-ethane / 1 h / 20 °C 1.2: 12 h / 20 °C 2.1: trifluoroacetic acid; triethylsilane / 3 h / 20 °C 3.1: sodium methylate / methanol / 6 h / Reflux View Scheme
Multi-step reaction with 3 steps 1.1: aluminum (III) chloride / 1,2-dichloro-ethane / 1 h / 20 °C 1.2: 12 h / 20 °C 2.1: trifluoroacetic acid; triethylsilane / 3 h / 20 °C 3.1: sodium methylate / methanol / 6 h / Reflux View Scheme
Multi-step reaction with 3 steps 1: aluminum (III) chloride / 1,2-dichloro-ethane / 0 - 20 °C 2: triethylsilane; trifluoroacetic acid / 20 °C 3: sodium methylate / methanol / 3 h / 20 °C View Scheme
Multi-step reaction with 4 steps 1.1: aluminum (III) chloride / 0.01 h / 0.25 - 0.3 °C 1.2: 0 h / 0.2 - 0.5 °C 2.1: sodium hydroxide / water; methanol / 1.5 h / 0.1 - 0.3 °C 3.1: palladium 10% on activated carbon; hydrogen / 0 h / 0.4 °C / Autoclave 4.1: sodium hydroxide / water; methanol / 0.2 - 0.3 °C View Scheme

: 103-45-7
acetic acid phenethyl ester

: 162358-05-6
2-(4-Octylphenyl)ethyl alcohol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 43 percent / AlCl3 / 1,2-dichloro-ethane / 3 h / 20 °C 2: triethylsilane; TFA / 1,2-dichloro-ethane / 3 h / 20 °C 3: 3.40 g / NaOMe; MeOH / 2 h / Heating View Scheme
Multi-step reaction with 3 steps 1.1: aluminum (III) chloride / 1,2-dichloro-ethane / 1 h / 20 °C 1.2: 12 h / 20 °C 2.1: trifluoroacetic acid; triethylsilane / 3 h / 20 °C 3.1: sodium methylate / methanol / 6 h / Reflux View Scheme
Multi-step reaction with 3 steps 1.1: aluminum (III) chloride / 1,2-dichloro-ethane / 1 h / 20 °C 1.2: 12 h / 20 °C 2.1: trifluoroacetic acid; triethylsilane / 3 h / 20 °C 3.1: sodium methylate / methanol / 6 h / Reflux View Scheme
Multi-step reaction with 4 steps 1.1: aluminum (III) chloride / 0.01 h / 0.25 - 0.3 °C 1.2: 0 h / 0.2 - 0.5 °C 2.1: sodium hydroxide / water; methanol / 1.5 h / 0.1 - 0.3 °C 3.1: palladium 10% on activated carbon; hydrogen / 0 h / 0.4 °C / Autoclave 4.1: sodium hydroxide / water; methanol / 0.2 - 0.3 °C View Scheme

Raw Materials

111-64-8

103-45-7

501-94-0

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Specification

2-(4-Octylphenyl)ethanol is an organic compound with the formula C₁₆H₂₆O, and its systematic name is the same with the product name. With the CAS registry number 162358-05-6, it is also named as Benzeneethanol, 4-octyl-. It belongs to the product categories of Aromatics Compounds; Aromatics. In addition, the molecular weight is 234.38.

Physical properties of 2-(4-Octylphenyl)ethanol are: (1)ACD/LogP: 5.539; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.54; (4)ACD/LogD (pH 7.4): 5.54; (5)ACD/BCF (pH 5.5): 9534.50; (6)ACD/BCF (pH 7.4): 9534.50; (7)ACD/KOC (pH 5.5): 24545.46; (8)ACD/KOC (pH 7.4): 24545.46; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 74.683 cm³; (15)Molar Volume: 251.614 cm³; (16)Polarizability: 29.607×10^-24cm³; (17)Surface Tension: 35.90 dyne/cm; (18)Density: 0.932 g/cm³; (19)Flash Point: 116.222 °C; (20)Enthalpy of Vaporization: 57.733 kJ/mol; (21)Boiling Point: 306.257 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCc1ccc(cc1)CCCCCCCC
(2)Std. InChI: InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)13-14-17/h9-12,17H,2-8,13-14H2,1H3
(3)Std. InChIKey: BUVAWTAMOZOVNN-UHFFFAOYSA-N