CAS
94108-52-8 Purity
96%
94108-52-8 Purity
96%
Inquiry Basket
(4-tert-Butyl-O-tolyl)acetaldehyde
CAS
94108-57-3
Catalog Number
ACM94108573
Category
Other Products
Molecular Weight
190.281420 [g/mol]
Molecular Formula
C13H18O
If you have any other questions or need other size, please get a quote.
- Product Description
- Case Study
- Custom Reviews
- Custom Q&A
- Synthetic Use
- Related Resources
Specification
Synonyms
(4-tert-Butyl-o-tolyl)acetaldehyde, 94108-57-3, KB-208458
IUPAC Name
2-(5-tert-butyl-2-methylphenyl)acetaldehyde
Canonical SMILES
CC1=C(C=CC(=C1)C(C)(C)C)CC=O
InChI Key
JJUXHTFUQDFVMM-UHFFFAOYSA-N
EC Number
302-398-4
Exact Mass
190.13600
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of (4-tert-Butyl-O-tolyl)acetaldehyde?
The molecular formula is C13H18O.
When was (4-tert-Butyl-O-tolyl)acetaldehyde created in PubChem?
It was created on July 11, 2007.
What is the molecular weight of (4-tert-Butyl-O-tolyl)acetaldehyde?
The molecular weight is 190.28 g/mol.
What is the IUPAC Name of (4-tert-Butyl-O-tolyl)acetaldehyde?
The IUPAC Name is 2-(4-tert-butyl-2-methylphenyl)acetaldehyde.
What is the InChI of (4-tert-Butyl-O-tolyl)acetaldehyde?
The InChI is InChI=1S/C13H18O/c1-10-9-12(13(2,3)4)6-5-11(10)7-8-14/h5-6,8-9H,7H2,1-4H3.
What is the InChIKey of (4-tert-Butyl-O-tolyl)acetaldehyde?
The InChIKey is ACGSLLPQEVTPIJ-UHFFFAOYSA-N.
What is the Canonical SMILES of (4-tert-Butyl-O-tolyl)acetaldehyde?
The Canonical SMILES is CC1=C(C=CC(=C1)C(C)(C)C)CC=O.
What is the CAS number of (4-tert-Butyl-O-tolyl)acetaldehyde?
The CAS number is 94108-57-3.
What is the XLogP3-AA value of (4-tert-Butyl-O-tolyl)acetaldehyde?
The XLogP3-AA value is 3.4.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
Recommended Products
![[(2,2,8-Trimethyl-4H-1,3-dioxino[4,5-c]pyridin-5-yl)methyl]hydrogen succinate](https://resource.alfa-chemistry.com/structure/94108-52-8.gif)
![1-[[4-(Trifluoromethoxy)phenyl]sulfonyl]-4-(trifluoromethyl)benzene](https://resource.alfa-chemistry.com/structure/94108-54-0.gif)
CAS
94108-54-0 Purity
96%
94108-54-0 Purity
96%
CAS
94108-62-0 Purity
96%
94108-62-0 Purity
96%
