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19715-19-6

Basic Information
CAS No.: 19715-19-6
Name: 3,5-Bis-tert-butylsalicylic acid
Article Data: 12
Molecular Structure:
Molecular Structure of 19715-19-6 (3,5-Bis-tert-butylsalicylic acid)
Formula: C15H22O3
Molecular Weight: 250.338
Synonyms: Salicylicacid, 3,5-di-tert-butyl- (8CI);2-Hydroxy-3,5-di-tert-butylbenzoic acid;3,5-Di-tert-butylsalicylic acid;3,5-Di(tert-butyl)-2-hydroxybenzoic acid;
EINECS: 243-246-6
Density: 1.07 g/cm3
Melting Point: 157-162 °C(lit.)
Boiling Point: 335.6 °C at 760 mmHg
Flash Point: 171 °C
Appearance: off-white to beige powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 57.53000
LogP: 3.68540
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  • 3,5-Bis-tert-butylsalicylic acid

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    19715-19-6

    3,5-Bis-tert-butylsalicylic acid

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  • 3,5-Bis-tert-butylsalicylic acid

  • Casno:

    19715-19-6

    3,5-Bis-tert-butylsalicylic acid

    Min.Order: 1 Metric Ton

    FOB Price:  USD $ 1.0-1.0

    We are a Union of chemistry in China, consists of chemists,engineers, laboratories,factories in China. We organize surplus capacity of R&D and production as well as custom synthesis for chemical products and chemical business project. We are supp

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  • 3,5-Dibutylsalicylicacid

  • Casno:

    19715-19-6

    3,5-Dibutylsalicylicacid

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    high purity lowest priceAppearance:solid or liquid Storage:in sealed air resistant place Package:drum and bag Application:for pharma use Transportation:by sea or air Port:Beijing or Guangzhou

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  • 3,5-di-tert-Butylsalicylic acid

  • Casno:

    19715-19-6

    3,5-di-tert-Butylsalicylic acid

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  • 3,5-Bis-tert-butylsalicylic acid

  • Casno:

    19715-19-6

    3,5-Bis-tert-butylsalicylic acid

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    In stock Storage:200kg Package:1kg/Box, 25kg/Drum Application:Pharmaceutical and Cosmetic Transportation:By Sea/Air/Courier Port:Any port of China

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Specification

The IUPAC name of 3,5-Bis-tert-butylsalicylic acid is 3,5-ditert-butyl-2-hydroxybenzoic acid. With the CAS registry number 19715-19-6, it is also named as Benzoic acid,3,5-bis(1,1-dimethylethyl)-2-hydroxy-. The product's categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Organic acids; C13 to C42+; Carbonyl Compounds; Carboxylic Acids. Besides, it is off-white to beige powder. In addition, its molecular formula is C15H22O3 and molecular weight is 250.34.

The other characteristics of this product can be summarized as: (1)EINECS: 243-246-6; (2)ACD/LogP: 5.44; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 2.55; (5)ACD/LogD (pH 7.4): 2.29; (6)ACD/BCF (pH 5.5): 10.45; (7)ACD/BCF (pH 7.4): 5.72; (8)ACD/KOC (pH 5.5): 28.29; (9)ACD/KOC (pH 7.4): 15.47; (10)#H bond acceptors: 3; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 4; (13)Polar Surface Area: 35.53 Å2; (14)Index of Refraction: 1.526; (15)Molar Refractivity: 71.83 cm3; (16)Molar Volume: 233.7 cm3; (17)Polarizability: 28.47×10-24cm3; (18)Surface Tension: 38 dyne/cm; (19)Density: 1.07 g/cm3; (20)Flash Point: 171 °C; (21)Melting point: 160-161 °C; (22)Enthalpy of Vaporization: 61.08 kJ/mol; (23)Boiling Point: 335.6 °C at 760 mmHg; (24)Vapour Pressure: 4.67E-05 mmHg at 25 °C.

Preparation of 3,5-Bis-tert-butylsalicylic acid: this chemical can be prepared by 3.5-Di-t-butyl-salicylsaeure-methylester.



This reaction needs methanol and H2O by heating for 5 hours. The yield is 80 %.

Uses of 3,5-Bis-tert-butylsalicylic acid: this chemical can be used for pressure-sensitive recording paper and antioxidant of pesticides. Additionally, it can react with 4-hydroxy-benzoic acid methyl ester to get 4-carbomethoxyphenyl 3,5-di-t-butylsalicylate.



This reaction needs dicyclohexylcarbodiimide and tetrahydrofuran for 18 hours. The yield is 72 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CC(C)(C)C1=CC(=C(C(=C1)C(=O)O)O)C(C)(C)C
(2)InChI: InChI=1S/C15H22O3/c1-14(2,3)9-7-10(13(17)18)12(16)11(8-9)15(4,5)6/h7-8,16H,1-6H3,(H,17,18)
(3)InChIKey: ZWQBZEFLFSFEOS-UHFFFAOYSA-N