1-Methyl octanedioate
Properties
- Molecular formula
- C9H16O4
- Molar mass
- 188.22 g/mol
- Exact mass
- 188.1049 Da
- Density
- 1.047 g/mL (at 20 °C)
- Melting point
- 17–19 °C
- Boiling point
- 146–150 °C (at 1 Torr)
- logP
- 1.58Crippen estimate
- Polar surface area
- 63.6 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 7
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
3946-32-5SMILES
COC(=O)CCCCCCC(=O)OInChIKey
KOVPXZDUVJGGFU-UHFFFAOYSA-NInChI
InChI=1S/C9H16O4/c1-13-9(12)7-5-3-2-4-6-8(10)11/h2-7H2,1H3,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Octanedioic acid, 1-methyl ester
- Suberic acid, monomethyl ester
- Octanedioic acid, monomethyl ester
- Suberic acid, methyl ester
- Monomethyl suberate
- Methyl 7-carboxyheptanoate
- Methyl 1,8-octanedionate
- 8-Methoxy-8-oxooctanoic acid
Work with 1-Methyl octanedioate
Similar compounds
Monomethyl azelate2104-19-0100 % similar
Monomethyl sebacate818-88-2100 % similar
Monomethyl adipate627-91-896 % similar
Monomethyl glutarate1501-27-592 % similar
Monomethyl succinate3878-55-574 % similar
Dimethyl sebacate106-79-672 % similar
Dimethyl octadecanedioate1472-93-172 % similar
1,12-Dimethyl dodecanedioate1731-79-972 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.