1-Ethyl heptanedioate
Properties
- Molecular formula
- C9H16O4
- Molar mass
- 188.22 g/mol
- Exact mass
- 188.1049 Da
- Density
- 0.9929 g/mL (at 20 °C)
- Melting point
- 10 °C
- Boiling point
- 182 °C (at 18 Torr)
- logP
- 1.58Crippen estimate
- Polar surface area
- 63.6 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 7
Hazards
Danger
- H302 Harmful if swallowed14.3% of notifiers
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage14.3% of notifiers
- H319 Causes serious eye irritation85.7% of notifiers
- H335 May cause respiratory irritation28.6% of notifiers
Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
33018-91-6SMILES
CCOC(=O)CCCCCC(=O)OInChIKey
NQYXFXWKKYGBNL-UHFFFAOYSA-NInChI
InChI=1S/C9H16O4/c1-2-13-9(12)7-5-3-4-6-8(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
9 names
- Heptanedioic acid, 1-ethyl ester
- Pimelic acid, monoethyl ester
- Heptanedioic acid, monoethyl ester
- Pimelic acid, ethyl ester
- Monoethyl heptanedioate
- Monoethyl pimelate
- Ethyl hydrogen pimelate
- 7-Ethoxy-7-oxoheptanoic acid
- Ethyl hydrogen heptane-1,7-dioate
Work with 1-Ethyl heptanedioate
Similar compounds
Ethyl hydrogen sebacate693-55-0100 % similar
1-Ethyl hexanedioate626-86-896 % similar
Monoethyl glutarate1070-62-893 % similar
Monoethyl succinate1070-34-476 % similar
Diethyl sebacate110-40-774 % similar
Diethyl pimelate2050-20-674 % similar
Diethyl suberate2050-23-974 % similar
Diethyl azelate624-17-974 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.