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CAS Number: 49623-71-4
2,4,6-triisopropylbenzoic acid

Structure

2,4,6-triisopropylbenzoic acid
Name: 2,4,6-triisopropylbenzoic acid
Synonyms:
General Information
Product Number: 49623714

CAS Registry Number 49623-71-4
Name:
Benzoic acid, 2,?4,?6-?tris(1-?methylethyl)?-
Benzoic acid, 2,4,6-triisopropyl- (6CI)
2,4,6-Tris(1-methylethyl)benzoic acid
2,4,6-Triisopropylbenzoic acid
2,4,6-Triisopropylphenylcarboxylic acid
NSC 60075

 

Chemical Formula: C16H24O2
Exact Mass: 248.18
Molecular Weight: 248.36
m/z: 248.18 (100.0%), 249.18 (17.7%), 250.18 (1.8%)

 

InChI:InChI=1S/C16H24O2/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,17,18)

InChI Key:ULVHAZFBJJXIDO-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 247-248 °C   (1)CAS
Melting Point 186-187 °C   (2)CAS
Melting Point 185-187 °C   (3)CAS
Melting Point 184-185 °C   (4)CAS
Melting Point 183-184 °C   (5)CAS
Melting Point 181-183 °C Solv: hexane (110-54-3) (6)IC

Specification

98%

References
  1. (1) Jones, Cameron; Journal of Organometallic Chemistry 2007, V692(22), P5086-5090 CAPLUS
  2. (2) Fuson, Reynold C.; Journal of the American Chemical Society 1940, V62, P2962-4 CAPLUS
  3. (3) Thiec, Jeanne; Ann. chim. (Paris) 1954, V9, P51-96 CAPLUS
  4. (4) Schubert, W. M.; Journal of the American Chemical Society 1954, V76, P9-14 CAPLUS
  5. (5) Rabjohn, Norman; Journal of Organic Chemistry 1955, V20, P271-3 CAPLUS
  6. (6) Beak, Peter; Journal of Organic Chemistry 1981, V46(11), P2363-73 CAPLUS
  7. (7) Fuson, Reynold C.; Journal of Organic Chemistry 1943, V8, P64-72 CAPLUS
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