Ethyl 3,4,5-trimethoxyphenylacetate
Basic information
- CAS
66162-60-5- Standard SMILES
CCOC(=O)Cc1cc(OC)c(OC)c(OC)c1- InChIKey
PHSQGRIKRCUPMR-UHFFFAOYSA-N- Molecular formula
- C13H18O5
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.11542367
Names & identifiers
- Preferred name
- Ethyl 3,4,5-trimethoxyphenylacetate
- IUPAC
- ethyl 2-(3,4,5-trimethoxyphenyl)acetate
- English name
- Ethyl 3,4,5-trimethoxyphenyl acetate
- Molecular formula
- C13H18O5
- Molecular weight
- 254.28
Names & synonyms
66162-60-5Ethyl 3,4,5-trimethoxyphenylacetateDTXSID30301118RefChem:343021DTXCID30252252ethyl 2-(3,4,5-trimethoxyphenyl)acetateEthyl 3,4,5-trimethoxyphenyl acetateMFCD04038963NSC141200SCHEMBL3457181AKOS005254582Ethyl (3,4,5-trimethoxyphenyl)acetate
Show more names
ethyl 2-(3,4,5-trimethoxyphenyl)ethanoate(3,4,5-Trimethoxyphenyl)-acetic acid ethylester2-(3,4,5-trimethoxyphenyl)acetic acid ethyl esterBenzeneacetic acid, 3,4,5-trimethoxy-, ethyl ester
NSC-141200DS-006828ETHYL-3,4,5-TRIMETHOXYPHENYLACETATEBENZENEACETIC ACID,3,4,5-TRIMETHOXY-, ETHYL ESTER
Database identifiers
- CAS
66162-60-5- PubChem CID
- 284883
- DTXSID
DTXSID30301118
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Melting point
- 30 °C · 30 °C
- Boiling point
- 177 · 177-180 °C(Press: 10 Torr)
- Density
- 1.101 · 1.101±0.06 g/cm3(Predicted)
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2918999090 · 2918999090
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
- hs_code
- 2918999090
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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