Grundinformationen
- Standard-SMILES
CC(C)OC(=O)CCCCC(=O)OC(C)C- InChIKey
ZDQWESQEGGJUCH-UHFFFAOYSA-N- Summenformel
- C12H22O4
- Durchschnittliche Molmasse
- 230,3 g/mol
- Monoisotopische Masse
- 230,15180918
Überblick
Diisopropyl adipate is an isopropyl ester and a fatty acid ester.
Namen und Bezeichner
- Bevorzugter Name
- Diisopropyl Adipate
- IUPAC
- dipropan-2-yl hexanedioate
- Lokaler Name
- Diisopropyladipat
- Englischer Name
- Diisopropyl adipate
- Summenformel
- C12H22O4
- Molmasse
- 230.3
Namen und Synonyme
DIISOPROPYL ADIPATE6938-94-9Adipic acid diisopropyl esterIsopropyl adipateCeraphyl 230Adipic acid, diisopropyl esterCrodamol DAHexanedioic acid, bis(1-methylethyl) esterBis(1-methylethyl)hexanedioateDTXSID5027641P7E6YFV72XNSC-56587
Weitere Namen anzeigen
Diisopropyl hexanedioateDIPAbetadiabeta diaNsc56587ISOADIPATcrodamoldaceraphyl230
Hexanedioic acid, 1,6-bis(1-methylethyl) esterDTXCID507641FEMA NO. 4474RefChem:587896230-072-0ProdipateStandamul DIPAWickenol 116
Datenbank-Bezeichner
- CAS
6938-94-9- PubChem CID
- 23368
- DTXSID
DTXSID5027641- ChEMBL
CHEMBL3184058- ChEBI
CHEBI:34711- UNII
- P7E6YFV72X
- EC Number
- 230-072-0
- Nikkaji
- J14.488F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 52,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 197
Experimentelle und physikochemische Eigenschaften
Cosmetics
Cosmetic ingredients (Diisopropyl Adipate) -> CIR (Cosmetic Ingredient Review)
Emollient
SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (Diisopropyl adipate) -> IFRA transparency List
PlasticizersPlasticizer
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.963-0.968 (20 °C)
Solubility
Practically insoluble or insoluble in water
Soluble (in ethanol)
Boiling Point
251.00 to 253.00 °C. @ 760.00 mm Hg
251-253 °C
Melting Point-1 °C
Refractive Index1.423-1.427
Physical Description
Liquid
Clear colourless liquid; Light alcoholic aroma
Physikochemische Eigenschaften
- Schmelzpunkt
- -1 °C · -1°C(lit.)
- Siedepunkt
- 120 °C · 120 °C
- Dichte
- 0 · 0,97 g/cm3
- Dampfdruck
- 0.26 · 0.26-5.946Pa at 20-25℃
- FEMA
- 4474 · 4474 | DIISOPROPYL ADIPATE
- Brechungsindex
- 1.422 · 1.4220-1.4250
- Flammpunkt
- 124 °C · 124 °C
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- 1000 g/L · 1000g/L in organic solvents at 20 ℃
- Aggregatzustand
- clear liquid
- pka
- 0 · 0[at 20 ℃]
- Farbe
- Colorless to Almost colorless
- Wichte
- 0.963 · 0.963~0.970 (20/4℃)
- Geruch (Odor)
- 100 % · at 100.00 %. mild estery fatty sour
- Geruchsart
- estery
- Wasserlöslichkeit
- 180 · 180-500mg/L at 25-26℃
- JECFA Number
- 1966 · 1966
- Kosmetik-Inhaltsstoffe Funktionen
- SOLVENTSKIN CONDITIONING - EMOLLIENTSKIN CONDITIONINGPLASTICISERFRAGRANCE
- LogP
- 3.389 at · 3.389 at 25℃
- CAS Datenbank
- 6938 · 6938-94-9(CAS DataBase Reference)
- NIST chemische Informationen
- Hexanedioic acid, bis(1-methylethyl) ester(6938-94-9)
- EPA chemische Informationen
- Diisopropyl adipate (6938-94-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 88.8% (326 of 367) of all reports.
Warning
H315 (10.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 367 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Hexanedioic acid, bis(1-methylethyl) ester
Hexanedioic acid, 1,6-bis(1-methylethyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanedioic acid, 1,6-bis(1-methylethyl) 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)
Status: Active Update: 28-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5933
Diisopropyl adipate: Does not have an individual approval but may be used under an appropriate group standard
EPA Safer ChemicalChemical: Diisopropyl adipate
Hazard Classes and CategoriesSkin Irrit. 2 (10.4%)
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
- 29171200
- RTECS-Nr.
- AV1575000
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39-24/25
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Verwendung und Herstellung
UsesCIR ingredient: Diisopropyl Adipate
U.S. Production2020: 75,240 lb
Industry UsesNot Known or Reasonably Ascertainable
Household ProductsInformation on 31 consumer products that contain Diisopropyl adipate in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Solvents
Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Cosmetics -> Emollient
General Manufacturing Information
Not Known or Reasonably Ascertainable
Hexanedioic acid, 1,6-bis(1-methylethyl) ester: ACTIVE
Anwendungen
Verwendendiisopropyl adipate is a low-viscosity emollient. It increases a preparation’s spreadability.
Anbieter50 Anbieter
北京华美互利生物化工010-56205725 · [email protected]
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