4-Butoxybenzyl alcohol

Base Information

• Chemical Name: 4-Butoxybenzyl alcohol
• CAS No.: 6214-45-5
• Molecular Formula: C11H16O2
• Molecular Weight: 180.247
• Hs Code.: 29094990
• European Community (EC) Number: 228-284-3
• NSC Number: 69089
• DSSTox Substance ID: DTXSID40211198
• Nikkaji Number: J28.531E
• Wikidata: Q72513916
• Mol file: 6214-45-5.mol

Synonyms:4-Butoxybenzyl alcohol;6214-45-5;(4-Butoxyphenyl)methanol;4-N-Butoxybenzyl Alcohol;Benzenemethanol, 4-butoxy-;p-Butoxybenzyl alcohol;EINECS 228-284-3;AI3-05732;4-butoxyphenylmethanol;(4-Butoxyphenyl)methanol #;NCIOpen2_000371;SCHEMBL109414;4-Butoxybenzyl alcohol, 98%;4-N-BUTOXYBENZYLALCOHOL;DTXSID40211198;NSC69089;CK1135;MFCD00004657;NSC 69089;NSC-69089;AKOS000249231;CS-W017188;AS-45834;B1042;FT-0762489;A868544;W-105041

Chemical Property of 4-Butoxybenzyl alcohol

Chemical Property:

• Appearance/Colour: white crystalline mass
• Vapor Pressure: 0.000705mmHg at 25°C
• Melting Point: 29-32 °C(lit.)
• Refractive Index: n20/D 1.518(lit.)
• Boiling Point: 295.1 °C at 760 mmHg
• PKA: 14.54±0.10(Predicted)
• Flash Point: 124.1 °C
• PSA: 29.46000
• Density: 1.019 g/cm³
• LogP: 2.35780
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 180.115029749
• Heavy Atom Count: 13
• Complexity: 117

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Butoxybenzyl alcohol ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 24/25-37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCOC1=CC=C(C=C1)CO
• Uses: The toxicity of 4-Butoxybenzyl Alcohol has been studied on rapidly dividing cancer cells (L1210 leukemia).

Technology Process of 4-Butoxybenzyl alcohol

There total 9 articles about 4-Butoxybenzyl alcohol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.8%

p-butoxybenzaldehyde (5736-88-9) → (4-butoxyphenyl)methanol (6214-45-5)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; at 0 - 20 ℃; for 48h; Inert atmosphere;

DOI:10.1021/ja508963v

Reference yield: 85.3%

methyl 4-butyloxybenzoate (4906-25-6) → (4-butoxyphenyl)methanol (6214-45-5)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 2h; Ambient temperature;

Reference yield: 77.0%

1-bromo-butane (109-65-9) + (4-hydroxyphenyl)methanol (623-05-2) → (4-butoxyphenyl)methanol (6214-45-5)

Guidance literature:

With potassium carbonate; In acetonitrile; for 12h; Reflux;

DOI:10.1016/j.bmcl.2020.127662

upstream raw materials:

p-butoxybenzaldehyde

methyl 4-butyloxybenzoate

ethyl 4-butoxybenzoate

methyl 4-hydroxylbenzoate

Downstream raw materials:

(2-Diethylamino-ethyl)-(4-butyloxy-phenylmethyl)-ether

p-butoxybenzaldehyde

2-(4-butoxy-benzyloxy)-isoindole-1,3-dione

3-(4-butoxyphenyl)-1-phenylpropan-1-ol

Refernces

• 1、 Kim, Byeong Wook,Lee, Hwa,Keum, Gyochang,Kim, B. Moon. "Structure-activity relationship (SAR) studies on the mutagenic properties of 2,7-diaminofluorene and 2,7-diaminocarbazole derivatives". supporting information. . Retrieved 2020/11/27.
• 2、 -. "CARBAZOLE COMPOUND HAVING ANTI-VIRUS ACTIVITY". Paragraph 0409; 0410; 0411; 0466; 0467. . Retrieved 2018/03/25.