CAS Registry Number®
939-97-9
CAS Name
4-tert-Butylbenzaldehyde
Molecular Formula
C11H14O
Molecular Mass
162.23
Compound Properties
-
Boiling Point (1)
123-125 °C @ Press: 20 Torr
-
Melting Point (2)
245-246 °C
-
Density (2)
0.9733 g/cm³ @ Temp: 20 °C
Source(s)
- (1) Brown, Herbert C.; Journal of the American Chemical Society, (1958), 80, 5377-80, CAplus
- (2) Chichibabin, A. E.; J. Russ. Phys.-Chem. Soc., (1928), 60, 347-54, CAplus
Other Names and Identifiers
InChI
InChI=1S/C11H14O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H3
InChIKey
InChIKey=OTXINXDGSUFPNU-UHFFFAOYSA-N
SMILES
C(C)(C)(C)C1=CC=C(C=O)C=C1
Canonical SMILES
O=CC1=CC=C(C=C1)C(C)(C)C
Other Names for this Substance
- Benzaldehyde, 4-(1,1-dimethylethyl)-
- Benzaldehyde, p–tert-butyl-
- 4-(1,1-Dimethylethyl)benzaldehyde
- p–tert-Butylbenzaldehyde
- 4-tert-Butylbenzaldehyde
- para–tert-Butylbenzaldehyde
Deleted or Replaced CAS Registry Numbers
34032-41-2
