Ethyl hydrogen suberate
Completing data — refresh the page later to see the latest
Basic information
- CAS
14113-01-0- Standard SMILES
CCOC(=O)CCCCCCC(=O)O- InChIKey
KCFVQEAPUOVXTH-UHFFFAOYSA-N- Molecular formula
- C10H18O4
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.12050905
Names & identifiers
- Preferred name
- Ethyl hydrogen suberate
- IUPAC
- 8-ethoxy-8-oxooctanoic acid
- English name
- 8-ethoxy-8-oxo-octanoic acid
- Molecular formula
- C10H18O4
- Molecular weight
- 202.25
Names & synonyms
Ethyl hydrogen suberateOctanedioic acid, ethyl-EINECS 237-968-0RefChem:596217237-968-014113-01-08-ethoxy-8-oxooctanoic acid1-Ethyl octanedioateMFCD000143858-ethoxy-8-oxo-octanoic acid68171-34-68-ethoxy-8-oxooctanoate
Show more names
Ethyloctanedioic acid
CS-0446113octanedioic acid monoethyl esterKorksaureathylesterFT-0626346Ethylhydrogensuberate, (Monoethylsuberate; Subericacid monoethylester)8-Ethoxy-8-oxooctanoicacidA807733Octanedioic acid,1-ethyl ester
Database identifiers
- CAS
14113-01-0、68171-34-6- PubChem CID
- 84204
- DTXSID
DTXSID20930996- EC Number
- 237-968-0
- Nikkaji
- J216.871E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- EPA Substance Registry System
- Octanedioic acid, ethyl- (68171-34-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctanedioic acid, ethyl-: INACTIVE
Related reactions
2 records
Compound notes
Loading…