CAS
94134-27-7 Purity
96%
94134-27-7 Purity
96%
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Butyl 4-(1,1-dimethylethyl)benzoate
CAS
94134-32-4
Catalog Number
ACM94134324
Category
Other Products
Molecular Weight
234.333980 [g/mol]
Molecular Formula
C15H22O2
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Specification
Synonyms
MolPort-002-051-895, Butyl 4-(1,1-dimethylethyl)benzoate, EINECS 302-800-8, CID2794169, 94134-32-4
IUPAC Name
butyl 4-tert-butylbenzoate
Canonical SMILES
CCCCOC(=O)C1=CC=C(C=C1)C(C)(C)C
InChI Key
BMSNGGLCKZGIEY-UHFFFAOYSA-N
Boiling Point
312.4ºC at 760mmHg
Flash Point
127.5ºC
Density
0.962g/cm³
EC Number
302-800-8
Exact Mass
234.16200
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Butyl 4-(1,1-dimethylethyl)benzoate?
The molecular formula is C15H22O2.
When was Butyl 4-(1,1-dimethylethyl)benzoate first created in PubChem?
It was first created on July 19, 2005.
What is the molecular weight of Butyl 4-(1,1-dimethylethyl)benzoate?
The molecular weight is 234.33 g/mol.
What is the IUPAC name of Butyl 4-(1,1-dimethylethyl)benzoate?
The IUPAC name is butyl 4-tert-butylbenzoate.
What is the InChIKey for Butyl 4-(1,1-dimethylethyl)benzoate?
The InChIKey is BMSNGGLCKZGIEY-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does Butyl 4-(1,1-dimethylethyl)benzoate have?
It has 2 hydrogen bond acceptor counts.
What is the exact mass of Butyl 4-(1,1-dimethylethyl)benzoate?
The exact mass is 234.161979940 g/mol.
What is the topological polar surface area of Butyl 4-(1,1-dimethylethyl)benzoate?
The topological polar surface area is 26.3 Ų.
How many rotatable bond counts does Butyl 4-(1,1-dimethylethyl)benzoate have?
It has 6 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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