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CAS Number: 1666-01-9
5-(tert-butyl)-2-hydroxy-3-methylbenzaldehyde

Structure

 5-(tert-butyl)-2-hydroxy-3-methylbenzaldehyde
Name: 5-(tert-butyl)-2-hydroxy-3-methylbenzaldehyde
Synonyms:
General Information
Product Number: 1666019

CAS Registry Number 1666-01-9
Name:
Benzaldehyde, 5-?(1,?1-?dimethylethyl)?-?2-?hydroxy-?3-?methyl-
2,3-Cresotaldehyde, 5-tert-butyl- (8CI)
5-tert-Butyl-2-hydroxy-3-methylbenzaldehyde
NSC 48675

 

Chemical Formula: C12H16O2
Exact Mass: 192.12
Molecular Weight: 192.25
m/z: 192.12 (100.0%), 193.12 (13.2%), 194.12 (1.2%)

 

InChI:InChI=1S/C12H16O2/c1-8-5-10(12(2,3)4)6-9(7-13)11(8)14/h5-7,14H,1-4H3

InChI Key:VCYNSDGWNABYBX-UHFFFAOYSA-N

Canonical SMILES:CC1=C(C(=CC(=C1)C(C)(C)C)C=O)O

 

Thermal Properties Value Condition Note
Melting Point 44-45 °C   (4)CAS
Melting Point 43-45 °C   (1)CAS
Melting Point 43-45 °C   (5)CAS

Specification

98%
References
  1. (1) Rudzevich, Valentyn; Journal of Organic Chemistry 2005, V70(15), P6027-6033 CAPLUS
  2. (4) Hultzsch, Kurt; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1942, V75B, P363-8 CAPLUS
  3. (5) Schall, A.; Science of Synthesis 2007, V25, P605-653 CAPLUS
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