Dodecyl 4-hydroxybenzoate

Base Information

• Chemical Name: Dodecyl 4-hydroxybenzoate
• CAS No.: 2664-60-0
• Molecular Formula: C19H30O3
• Molecular Weight: 306.445
• Hs Code.: 2918290000
• European Community (EC) Number: 220-195-8
• NSC Number: 309822
• UNII: TN2AFL5PYK
• DSSTox Substance ID: DTXSID9047883
• Nikkaji Number: J87.215F
• Wikidata: Q72470389
• ChEMBL ID: CHEMBL486647
• Mol file: 2664-60-0.mol

Synonyms:Dodecyl 4-hydroxybenzoate;2664-60-0;Dodecyl p-hydroxybenzoate;n-Dodecyl 4-hydroxybenzoate;Benzoic acid, 4-hydroxy-, dodecyl ester;Dodecylparaben;p-Hydroxybenzoic acid dodecyl ester;4-Hydroxybenzoic acid dodecyl ester;p-Oxybenzoesaureduodecylester;TN2AFL5PYK;Lauryl 4-Hydroxybenzoate;EINECS 220-195-8;BENZOIC ACID, p-HYDROXY-, DODECYL ESTER;p-Oxybenzoesaureduodecylester [German];NSC 309822;BRN 2739355;DTXSID9047883;MFCD00016473;NSC-309822;Laurylparaben;N-DODECYL4-HYDROXYBENZOATE;UNII-TN2AFL5PYK;dodecyl-4-hydroxybenzoate;CHEMBL486647;SCHEMBL1263037;DTXCID5027859;4-Hydroxybenzoic Acid Lauryl Ester;Tox21_200546;NSC309822;4-Hydroxybenzoic acid n-dodecyl ester;AKOS016846133;NCGC00248692-01;NCGC00258100-01;BS-23538;LS-37565;CAS-2664-60-0;CS-0132481;FT-0767023;H0352;D90843;EN300-736535

Chemical Property of Dodecyl 4-hydroxybenzoate

Chemical Property:

• Vapor Pressure: 8.77E-08mmHg at 25°C
• Melting Point: 54-56°C
• Refractive Index: 1.503
• Boiling Point: 423.8°C at 760mmHg
• PKA: 8.22±0.15(Predicted)
• Flash Point: 164.6°C
• PSA: 46.53000
• Density: 0.997g/cm³
• LogP: 5.46990
• XLogP3: 7.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 13
• Exact Mass: 306.21949481
• Heavy Atom Count: 22
• Complexity: 270

Purity/Quality:

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

Dodecyl 4-Hydroxybenzoate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)O

Technology Process of Dodecyl 4-hydroxybenzoate

There total 2 articles about Dodecyl 4-hydroxybenzoate 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: 95.1%

→ dodecyl 4-hydroxybenzoate (2664-60-0)

Guidance literature:

With benzothiazole hydrogen sulfate; for 4h; Reflux; Green chemistry;

Reference yield: 95.0%

1-dodecyl alcohol (112-53-8) + 4-hydroxy-benzoic acid (99-96-7) → dodecyl 4-hydroxybenzoate (2664-60-0)

Guidance literature:

With dicyclohexyl-carbodiimide; In tetrahydrofuran; at 0 ℃; for 20h;

DOI:10.1016/S0968-0896(02)00436-4

Reference yield: 94.0%

4-Nitrophthalonitrile (31643-49-9) + dodecyl 4-hydroxybenzoate (2664-60-0) → 4-(4'-dodecyloxycarbonyl)phenoxyphthalonitrile

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 65 ℃; for 1.5h;

DOI:10.1007/s11696-017-0203-y

upstream raw materials:

1-dodecyl alcohol

4-hydroxy-benzoic acid

Downstream raw materials:

4-((2S,3R,4S,5R,6R)-3,4,5-Tris-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yloxy)-benzoic acid dodecyl ester

4-((2R,3R,4S,5R,6R)-3,4,5-Tris-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yloxy)-benzoic acid dodecyl ester

dodecyl 4-(4-formylbenzoyloxy)benzoate

p-Benzyloxybenzoesaeure-n-dodecylester

Refernces

• 1、 -. "Proline ionic liquid and method for catalyzing synthesis of paraben by proline ionic liquid". Paragraph 0063-0066. . Retrieved 2020/09/16.
• 2、 -. "A process for preparing Nepal jin zhi method (by machine translation)". Paragraph 0063; 0064; 0065; 0066; 0067; 0068; 0069. . Retrieved 2019/10/02.