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CAS Number: 16225-26-6
3,5-di-tert-butylbenzoic acid

Structure

3,5-di-tert-butylbenzoic acid
Name: 3,5-di-tert-butylbenzoic acid
Synonyms:
General Information
Product Number: 16225266

CAS Registry Number 16225-26-6
Name:
Benzoic acid, 3,​5-​bis(1,​1-​dimethylethyl)​-
Benzoic acid, 3,5-di-tert-butyl- (6CI,7CI,8CI)
3,5-Di-tert-butylbenzoic acid

 

Chemical Formula: C15H22O2
Exact Mass: 234.16
Molecular Weight: 234.33
m/z: 234.16 (100.0%), 235.17 (16.6%), 236.17 (1.7%)

 

InChI:InChI=1S/C15H22O2/c1-14(2,3)11-7-10(13(16)17)8-12(9-11)15(4,5)6/h7-9H,1-6H3,(H,16,17)

InChI Key:NCTSLPBQVXUAHR-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 172.6-173.0 °C Solv: benzene (71-43-2) (5)CAS
Melting Point 171.5-172.5 °C Solv: acetic acid (64-19-7); water (7732-18-5) (6)CAS
Melting Point 169.5-170.5 °C   (7)CAS
Melting Point 167-169 °C   (8)CAS
Melting Point See full text   (9)CAS

Specification

98%

References
  1. (5) Schlatter, Maurice J.; US 2635114 1953 CAPLUS
  2. (6) van Hartingsveldt, W.; Recueil des Travaux Chimiques des Pays-Bas et de la Belgique 1956, V75, P349-54 CAPLUS
  3. (7) Carpenter, M. S.; Journal of Organic Chemistry 1954, V19, P87-102 CAPLUS
  4. (8) Izyumov, V. N.; Lakokrasochnye Materialy i Ikh Primenenie 1963, (5), P2-5 CAPLUS
  5. (9) Betts, Eileen E.; Canadian Journal of Chemistry 1955, V33, P1768-74 CAPLUS
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