Ethyl 1-naphthoate
Basic information
- CAS
3007-97-4- Standard SMILES
CCOC(=O)c1cccc2ccccc12- InChIKey
XCTLDQQOHIEUCJ-UHFFFAOYSA-N- Molecular formula
- C13H12O2
- Average molar mass
- 200.23 g/mol
- Monoisotopic mass
- 200.08372962
Names & identifiers
- Preferred name
- Ethyl 1-naphthoate
- IUPAC
- ethyl naphthalene-1-carboxylate
- English name
- Ethyl 1-naphthoate
- Molecular formula
- C13H12O2
- Molecular weight
- 200.23
Names & synonyms
Ethyl 1-naphthoate3007-97-41-Naphthalenecarboxylic acid, ethyl esterEINECS 221-120-1AI3-06324DTXSID70184144NSC 409986RefChem:593358DTXCID80106635221-120-1ethyl naphthalene-1-carboxylateEthyl alpha-naphthoate
Show more names
ETHYL A-NAPHTHOATERARECHEM AL BI 0090Ethyl a-phthoate, 99%Ethyl 1-naphthoate-97%Ethyl 1-naphthalenecarboxylateALPHA-NAPHTHOIC ACID ETHYL ESTER
1-Naphthoic acid, ethyl esterMFCD00016805naphthalene-1-carboxylic acid ethyl ester1-Naphthoic acid ethyl esterethyl naphthalenecarboxylateEthyl1-naphthoaEthyl1-naphthoateEthyl alpha-napthoate
Database identifiers
- CAS
3007-97-4- PubChem CID
- 76364
- DTXSID
DTXSID70184144- EC Number
- 221-120-1
- Nikkaji
- J99.603C
Properties
Computed structural properties
- XLogP
- 3.8
- 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
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 308 · 308-310°C
- Density
- 1 · 1,11 g/cm3
- refractive index
- 1.593 · 1.5930
- Flash point
- 308 · 308-310°C
- BRN
- 2047857 · 2047857
- CAS DataBase Reference
- 3007 · 3007-97-4(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 38220090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
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