Basic information
- CAS
10259-22-0- Standard SMILES
CCOC(=O)c1cccc(OC)c1- InChIKey
GSQLMBQLTPEPHD-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- Benzoic acid, 3-methoxy-, ethyl ester
- IUPAC
- ethyl 3-methoxybenzoate
- English name
- Ethyl 3-methoxybenzoate
- Molecular formula
- C10H12O3
- Molecular weight
- 180.2
Names & synonyms
10259-22-0Ethyl m-anisateBenzoic acid, 3-methoxy-, ethyl esterDTXSID40145343354Q7LL6BWRefChem:1079077DTXCID6067834233-598-9ethyl 3-methoxybenzoateMFCD00015149ETHYL3-METHOXYBENZOATEEthyl-3-methoxybenzoate
Show more names
RARECHEM AL BI 0060Ethyl 3-methoxybenzoate, 98+%Benzoic acid,3-Methoxy-, ethyl esterbenzenemacetic acid3-methoxyethyl ester
3-methoxy-benzoic acid ethyl esterEINECS 233-598-9SCHEMBL1248647ETHYL M-METHOXYBENZOATE3-METHOXYBENZOIC ACID ETHYL ESTER?ETHYL 3-METHOXYBENZOATESCHEMBL4775443SCHEMBL11489023
Database identifiers
- CAS
10259-22-0- PubChem CID
- 66299
- DTXSID
DTXSID40145343- UNII
- 354Q7LL6BW
- EC Number
- 233-598-9
- Nikkaji
- J130.538G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 168
Experimental & physicochemical properties
Kovats Retention Index1424
Physicochemical properties
- Boiling point
- 250 · 250-252°C
- Density
- 1 · 1,099 g/cm3
- refractive index
- 1.515 · 1.5150
- Flash point
- 250 · 250-252°C
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- Specific Gravity
- 1.09 · 1.09
- Appearance
- Colorless to light yellow Liquid
- BRN
- 2576420 · 2576420
- InChI
- 1S/C10H12O3/c1-3-13-10(11)8-5-4-6-9(7-8)12-2/h4-7H,3H2,1-2H3
- InChIKey
- GSQLMBQLTPEPHD-UHFFFAOYSA-N
- SMILES
- O=C(OCC)C1=CC=CC(OC)=C1
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Safety Statements
- 23 · 23-24/25
- WGK Germany
- 3 · WGK 3
- HS Code
- 2918999090 · 2918999090
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety data
- wgk
- WGK 3
- hs_code
- 2918999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 23-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
8 records
Compound notes
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