Monomethyl phthalate
Properties
- Molecular formula
- C9H8O4
- Molar mass
- 180.16 g/mol
- Exact mass
- 180.0423 Da
- Melting point
- 82–84 °C
- logP
- 1.17Crippen estimate
- Polar surface area
- 63.6 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
4376-18-5SMILES
COC(=O)c1ccccc1C(=O)OInChIKey
FNJSWIPFHMKRAT-UHFFFAOYSA-NInChI
InChI=1S/C9H8O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
13 names · show all
- Methyl hydrogen phthalate
- 2-(Methoxycarbonyl)benzoic acid
- NSC 8281
- Methyl 2-carboxybenzoate
- 2-(1-Methoxycarbonyl)benzoic acid
- 1,2-Benzenedicarboxylic acid, 1-methyl ester
- Phthalic acid, monomethyl ester
- 1,2-Benzenedicarboxylic acid, monomethyl ester
- Phthalic acid, methyl ester
- D 3 (Ester)
- Methyl phthalate
- D 3
- o-(Methoxycarbonyl)benzoic acid
Work with Monomethyl phthalate
Similar compounds
Dimethyl phthalate131-11-374 % similar
2-Amino-3-(methoxycarbonyl)benzoic acid253120-47-771 % similar
Monoperoxyphthalic acid2311-91-366 % similar
Phthalic acid88-99-363 % similar
tert-Butyl hydrogen phthalate33693-84-463 % similar
Methyl salicylate119-36-861 % similar
Methyl 2-bromobenzoate610-94-658 % similar
Methyl 2-methylbenzoate89-71-458 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds