Monomethyl terephthalate
Properties
- Molecular formula
- C9H8O4
- Molar mass
- 180.16 g/mol
- Exact mass
- 180.0423 Da
- Melting point
- 239 °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 irritation97.6% of notifiers
Aggregated from 41 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
1679-64-7SMILES
COC(=O)c1ccc(C(=O)O)cc1InChIKey
REIDAMBAPLIATC-UHFFFAOYSA-NInChI
InChI=1S/C9H8O4/c1-13-9(12)7-4-2-6(3-5-7)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
14 names · show all
- 1,4-Benzenedicarboxylic acid, 1-methyl ester
- 1,4-Benzenedicarboxylic acid, monomethyl ester
- Terephthalic acid, monomethyl ester
- Hydrogen methyl terephthalate
- Methyl hydrogen terephthalate
- 4-(Methoxycarbonyl)benzoic acid
- 4-(Carbomethoxy)benzoic acid
- p-Carbomethoxybenzoic acid
- p-(Methoxycarbonyl)benzoic acid
- Methyl p-carboxybenzoate
- Methyl p-phthalate
- Methyl 4-carboxybenzoate
- NSC 210838
- 4-[(Methyloxy)carbonyl]benzoic acid
Work with Monomethyl terephthalate
Similar compounds
Dimethyl terephthalate120-61-672 % similar
4,4′-Dimethyl [1,1′-biphenyl]-4,4′-dicarboxylate792-74-564 % similar
Methylparaben99-76-363 % similar
5-(Methoxycarbonyl)pyridine-2-carboxylic acid17874-79-263 % similar
1-Methyl 2-aminoterephthalate60728-41-861 % similar
Terephthalic acid100-21-060 % similar
1-Methyl 5-amino-1,3-benzenedicarboxylate28179-47-760 % similar
Methyl p-toluate99-75-260 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds