2-Naphthyl propionate
Basic information
- CAS
13080-43-8- Standard SMILES
CCC(=O)Oc1ccc2ccccc2c1- InChIKey
KVMXEPJRCAPKJL-UHFFFAOYSA-N- Molecular formula
- C13H12O2
- Average molar mass
- 200.23 g/mol
- Monoisotopic mass
- 200.08372962
Names & identifiers
- Preferred name
- 2-Naphthyl propionate
- IUPAC
- naphthalen-2-yl propanoate
- English name
- BETA-NAPHTHYL PROPIONATE
- Molecular formula
- C13H12O2
- Molecular weight
- 200.23
Names & synonyms
2-Naphthyl propionate13080-43-8BETA-NAPHTHYL PROPIONATE2-Naphthalenol, propanoatePropionic acid 2-naphthyl ester2-Naphthalenol, 2-propanoateB2UWH942LKEINECS 235-984-2NSC-4068612-NAPHTHOL, PROPIONATEAI3-08388NAPHTH-2-YL PROPANOATE
Show more names
BETA-NAP-PROPIONATEB-naphthyl propionateNaphthalen-2-yl propionatePropionic acid 2-naphtyl esterPropanoic acid 2-naphtyl ester
DTXSID10156749.BETA.-NAPHTHYL PROPIONATENSC 406861RefChem:88650DTXCID7079240235-984-2KVMXEPJRCAPKJL-UHFFFAOYSA-Nnaphthalen-2-yl propanoate
Database identifiers
- CAS
13080-43-8- PubChem CID
- 83118
- DTXSID
DTXSID10156749- UNII
- B2UWH942LK
- EC Number
- 235-984-2
- Nikkaji
- J307.511G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 48 · 48-51 °C
- Boiling point
- 324 · 324.0±11.0 °C(Predicted)
- Density
- 1.126 · 1.126±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- FDA UNII
- 2 UWH942LK · B2UWH942LK
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Suppliers
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Related reactions
1 records
Compound notes
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