Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate
Grundinformationen
- CAS
67762-64-5- Standard-SMILES
CCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCC- InChIKey
CIPBJDPIFXKOLJ-UHFFFAOYSA-N- Summenformel
- C18H34O5
- Durchschnittliche Molmasse
- 330,5 g/mol
- Monoisotopische Masse
- 330,24062418
Namen und Bezeichner
- Bevorzugter Name
- Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate
- IUPAC
- [2-(hydroxymethyl)-2-(pentanoyloxymethyl)butyl] heptanoate
Namen und Synonyme
Trimethylolpropane valerate heptanoate67762-64-5EINECS 267-029-0Heptanoic acid, valeric acid, trimethylolpropane esterEC 267-029-0Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoateRefChem:783701267-029-02-(hydroxymethyl)-2-((pentanoyloxy)methyl)butyl heptanoate2-(hydroxymethyl)-2-[(pentanoyloxy)methyl]butyl heptanoateSCHEMBL2534728CIPBJDPIFXKOLJ-UHFFFAOYSA-N
Datenbank-Bezeichner
- CAS
67762-64-5- PubChem CID
- 106781
- EC Number
- 267-029-0
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,2
- Polarare Oberfläche (TPSA)
- 72,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 16
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 329
Experimentelle und physikochemische Eigenschaften
Physical DescriptionLiquid
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 99.2% (503 of 507) of all reports.
Not Classified
Aggregated GHS information provided per 507 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate
Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate (EC: 267-029-0)
Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 250,000 - <550,000 lb
Consumer UsesLubricating agent
Industry UsesLubricating agent
General Manufacturing Information
Petroleum Lubricating Oil and Grease Manufacturing
Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate: ACTIVE
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