4-Hydroxy-2-methylnaphthyl benzoate
Basic information
- CAS
2211-28-1- Standard SMILES
Cc1cc(O)c2ccccc2c1OC(=O)c1ccccc1- InChIKey
IZDSOVHFCMEEEZ-UHFFFAOYSA-N- Molecular formula
- C18H14O3
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.0942943
Names & identifiers
- Preferred name
- 4-Hydroxy-2-methylnaphthyl benzoate
- IUPAC
- (4-hydroxy-2-methylnaphthalen-1-yl) benzoate
- English name
- 4-hydroxy-2-methylnaphthyl benzoate
- Molecular formula
- C18H14O3
- Molecular weight
- 278.30196
Names & synonyms
4-Hydroxy-2-methylnaphthyl benzoateDTXSID50176623EINECS 218-647-4EC 218-647-4RefChem:99162DTXCID4099114218-647-42211-28-14-hydroxy-2-methylnaphthalen-1-yl benzoateSCHEMBL3989240SCHEMBL30166016AKOS024342454
Show more names
Benzoic acid 4-hydroxy-2-methyl-1-naphtyl ester
4-Hydroxy-2-methyl-1-naphthyl benzoate #NS000102491,4-Naphthalenediol, 2-methyl-, 1-benzoateBenzoic acid, 4-hydroxy-2-methylnaphthalen-1-yl ester
Database identifiers
- CAS
2211-28-1- PubChem CID
- 75165
- DTXSID
DTXSID50176623- EC Number
- 218-647-4
- Nikkaji
- J29.236B
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H411-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- REACH Registrations
- Active
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
H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 4-hydroxy-2-methylnaphthyl benzoate (EC: 218-647-4)
Hazard Classes and CategoriesSkin Sens. 1A (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H315-H411-H335-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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