Benzoic acid, 2-[[(4-hydroxy-3-methoxyphenyl)methylene]amino]-, methyl ester
Basic information
- CAS
72927-84-5- Standard SMILES
COC(=O)c1ccccc1N=Cc1ccc(O)c(OC)c1- InChIKey
OZVYKIDWVOPIKR-UHFFFAOYSA-N- Molecular formula
- C16H15NO4
- Average molar mass
- 285.29 g/mol
- Monoisotopic mass
- 285.10010796
Names & identifiers
- Preferred name
- Benzoic acid, 2-[[(4-hydroxy-3-methoxyphenyl)methylene]amino]-, methyl ester
- IUPAC
- methyl 2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzoate
- English name
- methyl 2-[[(4-hydroxy-3-methoxyphenyl)methylene]amino]benzoate
- Molecular formula
- C16H15NO4
- Molecular weight
- 285.3
Names & synonyms
METHYL 2-[[(4-HYDROXY-3-METHOXYPHENYL)METHYLENE]AMINO]BENZOATEEINECS 277-026-6DTXSID9072654Methyl 2-(((4-hydroxy-3-methoxyphenyl)methylene)amino)benzoateBenzoic acid, 2-[[(4-hydroxy-3-methoxyphenyl)methylene]amino]-, methyl esterBenzoic acid, 2-(((4-hydroxy-3-methoxyphenyl)methylene)amino)-, methyl esterRefChem:565320DTXCID5047407277-026-672927-84-5methyl (E)-2-((4-hydroxy-3-methoxybenzylidene)amino)benzoateSCHEMBL9958290
Show more names
2-[[(4-hydroxy-3-methoxyphenyl)methylene]amino]-benzoic acid methyl ester
OZVYKIDWVOPIKR-UHFFFAOYSA-NMETHYL 2-{[(4-HYDROXY-3-METHOXYPHENYL)METHYLIDENE]AMINO}BENZOATENS00060602
Database identifiers
- CAS
72927-84-5- PubChem CID
- 166354
- DTXSID
DTXSID9072654- EC Number
- 277-026-6
- Nikkaji
- J318.891D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 68.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 371
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Benzoic acid, 2-[[(4-hydroxy-3-methoxyphenyl)methylene]amino]-, methyl ester) -> IFRA transparency List
Physicochemical properties
- Melting point
- 163 °C · 163 °C(Solvent: Xylene)
- Boiling point
- 488.063 · 488.063±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.171 · 1.171±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.665 · 8.665±0.20(predicted)
- EPA Substance Registry System
- 2 · Benzoic acid, 2-[[(4-hydroxy-3-methoxyphenyl)methylene]amino]-, methyl ester (72927-84-5)
- TSCA
- TSCA listed
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
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Benzoic acid, 2-[[(4-hydroxy-3-methoxyphenyl)methylene]amino]-, methyl ester
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing InformationBenzoic acid, 2-[[(4-hydroxy-3-methoxyphenyl)methylene]amino]-, methyl ester: ACTIVE
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Related reactions
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Compound notes
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