Grundinformationen
- CAS
106-19-4- Standard-SMILES
CCCOC(=O)CCCCC(=O)OCCC- InChIKey
NKOUWLLFHNBUDW-UHFFFAOYSA-N- Summenformel
- C12H22O4
- Durchschnittliche Molmasse
- 230,3 g/mol
- Monoisotopische Masse
- 230,15180918
Überblick
Dipropyl hexanedioate is a fatty acid ester.
Namen und Bezeichner
- Bevorzugter Name
- Dipropyl Adipate
- IUPAC
- dipropyl hexanedioate
- Lokaler Name
- Dipropyladipat
- Englischer Name
- Dipropyl adipate
- Summenformel
- C12H22O4
- Molmasse
- 230.3
Namen und Synonyme
Dipropyl adipateDIPROPYL HEXANEDIOATEAdipic acid, dipropyl esterAdipic acid di-n-propyl esterAdipic acid, di-n-propyl esterDTXSID60445111,6-dipropyl hexanedioateNSC 4894EINECS 203-371-9UNII-WB3LW508W0BRN 1785512WB3LW508W0
Weitere Namen anzeigen
DI-N-PROPYL ADIPATEAdipic acid dipropyldipropylhexanedioateDipropyl Adipate >Dipropyl hexanedioateadipicacid,dipropylesterAdpic acid di-n-propyl esterhexanedioicaciddipropylester
AI3-06052NSC-4894Hexanedioic acid, 1,6-dipropyl esterDTXCID4024511FEMA NO. 44734-02-00-01961 (Beilstein Handbook Reference)RefChem:134839DIPROPYL ADIPATE [INCI]
Datenbank-Bezeichner
- CAS
106-19-4- PubChem CID
- 7790
- DTXSID
DTXSID6044511- ChEMBL
CHEMBL3187954- ChEBI
CHEBI:169438- UNII
- WB3LW508W0
- EC Number
- 203-371-9
- Nikkaji
- J47.016C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 52,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 11
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 179
Experimentelle und physikochemische Eigenschaften
Cosmetics
Cosmetic ingredients (Dipropyl Adipate) -> CIR (Cosmetic Ingredient Review)
Emollient
SpringerMaterials PropertiesBoiling point
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.979-0.983 (20 °C)
Solubility
very slightly
Very slightly soluble in water
Soluble (in ethanol)
Boiling Point
273.00 to 274.00 °C. @ 760.00 mm Hg
273-274 °C
Melting Point-20 °C
Refractive Index1.429-1.433
Physical Description
Liquid
Liquid
Clear colourless liquid; Light rubbing alcohol aroma
Collision Cross Section168.6 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID6044511]
Physikochemische Eigenschaften
- Schmelzpunkt
- -15.7 °C · -15.7°C
- Siedepunkt
- 144 °C · 144 °C (10 mmHg)
- Dichte
- 0.979 · 0.979
- FEMA
- 4473 · 4473 | DIPROPYL ADIPATE
- Brechungsindex
- 1.429 · 1.4290-1.4320
- Flammpunkt
- 140 °C · 140 °C
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Almost colorless
- Geruch (Odor)
- mild alcoholic
- Geruchsart
- alcoholic
- JECFA Number
- 1965 · 1965
- Kosmetik-Inhaltsstoffe Funktionen
- SKIN CONDITIONINGSOLVENTSKIN CONDITIONING - EMOLLIENT
- LogP
- 3.35 · 3.35
- CAS Datenbank
- 106 · 106-19-4(CAS DataBase Reference)
- NIST chemische Informationen
- Hexanedioic acid, dipropyl ester(106-19-4)
- EPA chemische Informationen
- Dipropyl adipate (106-19-4)
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 ClassificationNot Classified
Gefahrenhinweise
Regulatory Information
Chemical: Hexanedioic acid, dipropyl ester
Hexanedioic acid, 1,6-dipropyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanedioic acid, 1,6-dipropyl ester 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)
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazard Classes and CategoriesNot Classified
Toxikologische Informationen
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Sicherheitsdaten
- tsca
- TSCA listed
- hs_code
- 2917.12.2000
- RTECS-Nr.
- AV1740000
- safety_code
- 24/25
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Verwendung und Herstellung
UsesCIR ingredient: Dipropyl Adipate
U.S. Production2023: <50,000 lb
Consumer UsesFire extinguishing agent
Industry UsesFire extinguishing agent
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Cosmetics -> Emollient
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Hexanedioic acid, 1,6-dipropyl ester: ACTIVE
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