O-Methylbenzyl acetate
PubChem CID: 87085
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| Compound Synonyms | o-Methylbenzyl acetate, 17373-93-2, (2-methylphenyl)methyl acetate, 2-Methylbenzyl acetate, Benzenemethanol, 2-methyl-, acetate, Benzyl alcohol, o-methyl-, acetate, 2-Methylbenzyl alcohol acetate, Acetic acid, (2-methylphenyl)methyl ester, UNII-MOW7I1L9D3, MOW7I1L9D3, EINECS 241-412-2, O-ACETOXYMETHYLTOLUENE, AI3-21537, DTXSID90169650, FEMA NO. 3702, O-, ortho-methyl benzyl acetate, 2-Methylbenzyl acetate #, SCHEMBL1984327, DTXCID7092141, CHEBI:180406, 2-Methylbenzyl alcohol acetic acid, (2-Methylphenyl)methyl acetic acid, AKOS004907996, DB-043956, NS00021750, Q27284150, 241-412-2 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Description | Flavouring ingredient. Component of FEMA 2684. 2-Methylbenzyl alcohol acetate is found in parsley. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 154.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2-methylphenyl)methyl acetate |
| Nih Violation | False |
| Class | Benzene and substituted derivatives |
| Xlogp | 2.0 |
| Superclass | Benzenoids |
| Is Pains | False |
| Subclass | Benzyloxycarbonyls |
| Molecular Formula | C10H12O2 |
| Inchi Key | BKKDUUVBVHYZFA-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | 2-Methylbenzyl acetate, 2-Methylbenzyl alcohol, Benzenemethanol, 2-methyl-, acetate, Benzyl alcohol, o-methyl-, acetate, O-methylbenzyl acetate, 2-Methylbenzyl alcohol acetic acid, Benzyl alcohol, O-methyl-, acetate, O-Methylbenzyl acetate, (2-Methylphenyl)methyl acetic acid |
| Compound Name | O-Methylbenzyl acetate |
| Kingdom | Organic compounds |
| Exact Mass | 164.084 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 164.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 164.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Inchi | InChI=1S/C10H12O2/c1-8-5-3-4-6-10(8)7-12-9(2)11/h3-6H,7H2,1-2H3 |
| Smiles | CC1=CC=CC=C1COC(=O)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Benzyloxycarbonyls |
- 1. Outgoing r'ship
FOUND_INto/from Petroselinum Crispum (Plant) Rel Props:Source_db:fooddb_chem_all