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CAS Number: 4919-37-3
4-hydroxy-3,5-dimethylbenzoic acid

Structure

4-hydroxy-3,5-dimethylbenzoic acid
Name: 4-hydroxy-3,5-dimethylbenzoic acid
Synonyms:
General Information
Product Number: 4919373
CAS Number:
4919-37-3
Name:
Benzoic acid,4-hydroxy-3,5-dimethyl-
Synonyms:
2,6-Dimethyl-4-carboxyphenol;3,5-Dimethyl-4-hydroxybenzoic acid; 4-Hydroxy-3,5-dimethylbenzoic acid; NSC68319
Chemical Formula: C9H10O3
Exact Mass: 166.06
Molecular Weight: 166.17
m/z: 166.06 (100.0%), 167.07 (10.0%), 168.07 (1.1%)
Elemental Analysis: C, 65.05; H, 6.07; O, 28.88
InChI: InChI=1S/C9H10O3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,10H,1-2H3,(H,11,12)
InChIKey: OMNHTTWQSSUZHO-UHFFFAOYSA-N
Canonical SMILES : CC1=CC(=CC(=C1O)C)C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 224-225.5 °C   (6)CAS
Melting Point 221-224.5 °C Solv: water (7732-18-5); ethanol (64-17-5) (7)CAS
Melting Point 220-221 °C   (8)CAS
Melting Point See full text   (9)IC

Specification

98%

References
  1. (1) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  2. (2) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  3. (3) Lu, Yixin; Journal of Medicinal Chemistry 2006, V49(17), P5382-5385 CAPLUS
  4. (4) Wittmann, Sebastian; Angewandte Chemie, International Edition 2010, V49(10), P1867-1870, S1867/1-S1867/9 CAPLUS
  5. (5) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
  6. (6) Heyningen, Earle Van; Journal of Organic Chemistry 1961, V26, P3850-6 CAPLUS
  7. (7) Moffett, Robert Bruce; Journal of Medicinal & Pharmaceutical Chemistry 1960, V2, P201-12 CAPLUS
  8. (8) NL 6415195 1965 CAPLUS
  9. (9) Law, Say Jong; EP 263657 A2 1988 CAPLUS
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