Cas no 80003-85-6 (Benzoic acid, 3,4-dihydroxy-, dodecyl ester)
80003-85-6 structure
Product Name:Benzoic acid, 3,4-dihydroxy-, dodecyl ester
CAS No:80003-85-6
MF:C19H30O4
MW:322.439106464386
CID:706494
PubChem ID:10064742
Update Time:2025-04-19
Benzoic acid, 3,4-dihydroxy-, dodecyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 3,4-dihydroxy-, dodecyl ester
- dodecyl 3,4-dihydroxybenzoate
- DTXSID10435086
- CHEMBL444441
- 3,4-Dihydroxybenzoic acid dodecyl ester
- SCHEMBL4960394
- 80003-85-6
-
- Inchi： 1S/C19H30O4/c1-2-3-4-5-6-7-8-9-10-11-14-23-19(22)16-12-13-17(20)18(21)15-16/h12-13,15,20-21H,2-11,14H2,1H3
- InChI Key： ARMHHBJSMKGRPM-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=C(C=1)O)O)=O)CCCCCCCCCCCC
Computed Properties
- Exact Mass: 322.21440943g/mol
- Monoisotopic Mass: 322.21440943g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 13
- Complexity: 306
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.2
- Topological Polar Surface Area: 66.8?2
Benzoic acid, 3,4-dihydroxy-, dodecyl ester Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
80003-85-6 (Benzoic acid, 3,4-dihydroxy-, dodecyl ester) Related Products
- 2664-60-0(Dodecyl 4-hydroxybenzoate)
- 1083-41-6(Butyl gallate)
- 10361-12-3(Octadecyl 3,4,5-Trihydroxybenzoate)
- 94-26-8(Butylparaben)
- 121-79-9(Propyl gallate)
- 1085-12-7(n-Heptyl 4-Hydroxybenzoate)
- 2486-02-4(Isoamyl gallate)
- 1166-52-5(Dodecyl gallate)
- 6521-29-5(Pentyl Paraben)
- 1083-27-8(Hexyl 4-hydroxybenzoate)
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