CAS
94131-37-0 Purity
96%
94131-37-0 Purity
96%
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Citronellyl butyrate
CAS
94133-43-4
Catalog Number
ACM94133434
Category
Other Products
Molecular Weight
226.36
Molecular Formula
C14H26O2
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Specification
Synonyms
(S)-3,7-Dimethyloct-6-enyl butyrate, 94133-43-4, EINECS 302-703-0
IUPAC Name
[(3S)-3,7-dimethyloct-6-enyl] butanoate
Canonical SMILES
CCCC(=O)OCCC(C)CCC=C(C)C
InChI Key
XQPZQXTWYZAXAK-ZDUSSCGKSA-N
EC Number
302-703-0
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Citronellyl butyrate?
The molecular formula of Citronellyl butyrate is C14H26O2.
What is the molecular weight of Citronellyl butyrate?
The molecular weight of Citronellyl butyrate is 226.35 g/mol.
What are some synonyms for Citronellyl butyrate?
Some synonyms for Citronellyl butyrate include Citronellyl n-butyrate and 3,7-dimethyloct-6-enyl butanoate.
In which organisms is Citronellyl butyrate naturally found?
Citronellyl butyrate is a natural product found in Origanum syriacum, Pelargonium ternifolium, and other organisms with available data.
What is the InChIKey for Citronellyl butyrate?
The InChIKey for Citronellyl butyrate is XQPZQXTWYZAXAK-UHFFFAOYSA-N.
What is the Canonical SMILES for Citronellyl butyrate?
The Canonical SMILES for Citronellyl butyrate is CCCC(=O)OCCC(C)CCC=C(C)C.
What is the CAS number for Citronellyl butyrate?
The CAS number for Citronellyl butyrate is 141-16-2.
What is the XLogP3-AA value for Citronellyl butyrate?
The XLogP3-AA value for Citronellyl butyrate is 4.6.
How many hydrogen bond acceptor counts does Citronellyl butyrate have?
Citronellyl butyrate has 2 hydrogen bond acceptor counts.
What is the topological polar surface area of Citronellyl butyrate?
The topological polar surface area of Citronellyl butyrate is 26.3 A^2.
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