CAS
93919-00-7 Purity
96%
93919-00-7 Purity
96%
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Carvyl butyrate
CAS
93919-04-1
Catalog Number
ACM93919041
Category
Other Products
Molecular Weight
222.323280 [g/mol]
Molecular Formula
C14H22O2
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Specification
Synonyms
EINECS 299-987-0, 2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl butyrate, Butanoic acid, 2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-yl ester, 93919-04-1
IUPAC Name
(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) butanoate
Canonical SMILES
CCCC(=O)OC1CC(CC=C1C)C(=C)C
InChI Key
NFYWZJFDZXGDJZ-UHFFFAOYSA-N
Boiling Point
282ºC at 760mmHg
Flash Point
116.5ºC
Density
0.94g/cm³
EC Number
299-987-0
Exact Mass
222.16200
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Carvyl butyrate?
The molecular formula of Carvyl butyrate is C14H22O2.
When was Carvyl butyrate created and last modified in PubChem?
Carvyl butyrate was created on July 11, 2007, and last modified on December 30, 2023.
What is the IUPAC Name of Carvyl butyrate?
The IUPAC Name of Carvyl butyrate is (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) butanoate.
What is the InChIKey of Carvyl butyrate?
The InChIKey of Carvyl butyrate is NFYWZJFDZXGDJZ-UHFFFAOYSA-N.
How many hydrogen bond acceptors are there in Carvyl butyrate?
There are 2 hydrogen bond acceptors in Carvyl butyrate.
What is the exact mass of Carvyl butyrate?
The exact mass of Carvyl butyrate is 222.161979940 g/mol.
How many rotatable bond counts are there in Carvyl butyrate?
There are 5 rotatable bond counts in Carvyl butyrate.
Is Carvyl butyrate a canonicalized compound?
Yes, Carvyl butyrate is a canonicalized compound.
What is the topological polar surface area of Carvyl butyrate?
The topological polar surface area of Carvyl butyrate is 26.3 Ų.
How many defined atom stereocenter counts are there in Carvyl butyrate?
There are 0 defined atom stereocenter counts in Carvyl butyrate.
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