Methyl (p-tolyloxy)acetate
Basic information
- CAS
38768-63-7- Standard SMILES
COC(=O)COc1ccc(C)cc1- InChIKey
BUKHBVPVKOXGSO-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Overview
See also: Acetic acid, (4-methylphenoxy)-, methyl ester (annotation moved to).
Names & identifiers
- Preferred name
- Methyl (p-tolyloxy)acetate
- IUPAC
- methyl 2-(4-methylphenoxy)acetate
- English name
- Methyl (p-tolyloxy)acetate
- Molecular formula
- C10H12O3
- Molecular weight
- 180.2
Names & synonyms
Methyl (p-tolyloxy)acetate38768-63-7Methyl 2-(p-tolyloxy)acetatemethyl 2-(4-methylphenoxy)acetateMethyl p-tolyloxyacetatemethyl p-methylphenoxyacetateSCHEMBL304945SCHEMBL5111012Methyl (4-methylphenoxy)acetatemethyl (para-tolyl oxy) acetateDTXSID90345114Methyl (4-methylphenoxy)acetate #
Show more names
ASISCHEM D38775METHYL (P-TOLYLOXY)ACETATE 98+%Acetic acid, (4-methylphenoxy)-, methyl esterAcetic acid, 2-(4-methylphenoxy)-, methyl ester
MFCD00209541Methyl (p-tolyloxy)acetate, >=98%AKOS000295649
Database identifiers
- CAS
38768-63-7- PubChem CID
- 601946
- DTXSID
DTXSID90345114- Nikkaji
- J1.406.623C
Properties
Computed structural properties
- XLogP
- 1.8
- 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
- 160
Physicochemical properties
- Boiling point
- 119 °C5 · 119 °C5 mm Hg(lit.)
- Density
- 1.084 · 1.084±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- Flash point
- 230 °F · >230 °F
- Odor
- 10 % · at 10.00 % in dipropylene glycol. wild fruity fatty
- Odor Type
- fruity
- biological source
- synthetic
- Major Application
- flavors and fragrances
- InChI
- 1S/C10H12O3/c1-8-3-5-9(6-4-8)13-7-10(11)12-2/h3-6H,7H2,1-2H3
- InChIKey
- BUKHBVPVKOXGSO-UHFFFAOYSA-N
- SMILES
- COC(=O)COc1ccc(C)cc1
- LogP
- 1.869 · 1.869 (est)
- UNSPSC Code
- 12164502 · 12164502
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
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
- PPE
- Eyeshields, Gloves
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 12 - Non Combustible Liquids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
Usesflavors and fragrances
Related reactions
2 records
Compound notes
Loading…