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2-Naphthyl Butyrate

CAT: 0572-TRC-N378658-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-N378658-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5856-33-7
Synonyms
2-Naphthol, butyrate (8CI); Butyric acid, 2-naphthyl ester (7CI, 8CI); 2-Naphthyl butyrate; NSC 406959; β-Naphthyl butyrate
Hazard Statement
No Data Available
Smiles
CCCC(OC1=CC=C2C=CC=CC2=C1)=O
Molecular Formula
C14H14O2
Molecular Weight
214.26
InChI
InChI=1S/C14H14O2/c1-2-5-14(15)16-13-9-8-11-6-3-4-7-12(11)10-13/h3-4,6-10H,2,5H2,1H3
Additionnal Information
IUPAC name: naphthalen-2-yl butyrate
Shipping Conditions
Room Temperature

Chemical Information

2-Naphthyl butyrate

2-naphthyl butyrate is a butyrate ester obtained by formal condensation of the carboxy group of butyric acid with the hydroxy group of 2-naphthol. It has a role as a chromogenic compound. It is a member of naphthalenes, a butyrate ester and an aromatic ester. It is functionally related to a 2-naphthol.

CAS Number5856-33-7
PubChem CID347991
IUPAC Namenaphthalen-2-yl butanoate
Molecular FormulaC14H14O2
Molecular Weight214.26
XLogP3.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity237
SMILES
CCCC(=O)OC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C14H14O2/c1-2-5-14(15)16-13-9-8-11-6-3-4-7-12(11)10-13/h3-4,6-10H,2,5H2,1H3
InChIKey
KCWQXDQUKLJUEU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Naphthyl butyrate
CAS: 5856-33-7
CID: 347991
Formula: C14H14O2
MW: 214.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.26
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass214.099379685
Monoisotopic Mass214.099379685
Topological Polar Surface Area26.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity237
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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