Diisobutyladipat

DIBA · HEXANEDIOIC ACID, BIS(2-METHYLPROPYL) ESTER · DBE-IB · NSC 6343 · ftaflexdiba · Ftaflex diba · DIBA Standard · Plasthall DIBA

https://huagongshe.com/de/chemical/8831

Identifikatoren & physikalische Daten

CAS No.	141-04-8
Summenformel	C14H26O4
Durchschnittliche Molmasse	258,35 g/mol
Monoisotopische Masse	258,18310931 g/mol
SMILES	CC(C)COC(=O)CCCCC(=O)OCC(C)C
InChIKey	RDOFJDLLWVCMRU-UHFFFAOYSA-N
PubChem CID	8831
ChEMBL	CHEMBL3184260
ChEBI	CHEBI:34708
EC No.	205-450-3
DTXSID	DTXSID9036690
Lokaler Name	Diisobutyladipat

Chemische & physikalische Eigenschaften

XLogP	3,2
Polarare Oberfläche (TPSA)	52,6
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	11
Schwere Atome	18
Formalladung	0
Komplexität	220
Geruch	Odorless
Dichte	0.9534 g/cu cm @ 19 °C0.950-0.956 (20 °C)0.954 g/mL at 25 °C (lit.)
Color/Form	Colorless liquid
Löslichkeit	Sol in most org solventsinsol in waterPractically insoluble or insoluble in waterSoluble (in ethanol)Chloroform (Slightly), Methanol (Slightly)42.7mg/L at 25℃
Siedepunkt	278-280 °CBP: 186-8 °C @ 15 mm Hg279.00 °C. @ 760.00 mm Hg280-281 °C293 °C (lit.)
Decomposition	When heated to decomposition it emits acrid smoke and irritating fumes.
Schmelzpunkt	-20 °C-20.00 °C. @ 760.00 mm Hg-17°C
Dampfdruck	0.00563 [mmHg]15.1Pa at 20℃
Brechungsindex	Index of refraction: 1.4301 @ 20 °C1.428-1.434n20/D 1.432(lit.)
Physical Description	LiquidColorless odorless liquid[Hawley]Clear colourless liquidBland aroma
Kovats Retention Index	166016551656165716521666.516911699168021322119
Collision Cross Section	179.8 Å² [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID9036690]235.89 Å² [2M+Na]+218.46 Å² [M+Na]+180.16 Å² [M+Na]+294.67 Å² [2M+Na]+167.82 Å² [M+H]+
FEMA	4475 \| DIISOBUTYL ADIPATE
Flammpunkt	>230 °F
Lagerbedingungen	Refrigerator
Aggregatzustand	Oil
Farbe	Clear Colourless
Wichte	0.953 (20/4℃)
Geruch	mild estery
Geruchsart	estery
JECFA Number	1967
Kosmetik-Inhaltsstoffe Funktionen	SKIN CONDITIONINGSKIN CONDITIONING - EMOLLIENTSOLVENTPLASTICISERFRAGRANCE
InChI	1S/C14H26O4/c1-11(2)9-17-13(15)7-5-6-8-14(16)18-10-12(3)4/h11-12H,5-10H2,1-4H3
InChIKey	RDOFJDLLWVCMRU-UHFFFAOYSA-N
SMILES	CC(C)COC(=O)CCCCC(=O)OCC(C)C
LogP (Verteilungskoeffizient)	4.3 at 30℃
CAS Datenbank	141-04-8(CAS DataBase Reference)
NIST chemische Informationen	Hexanedioic acid, bis(2-methylpropyl) ester(141-04-8)
EPA chemische Informationen	Diisobutyl adipate (141-04-8)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 99.7% (339 of 340) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 339 of 340 companies (only 0.3% companies provided GHS information). For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 340 reports by companies from 3 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 339 of 340 reports by companies.There is 1 notification provided by 1 of 340 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Regulatorische Informationen	Chemical: Hexanedioic acid, bis(2-methylpropyl) esterHexanedioic acid, 1,6-bis(2-methylpropyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanedioic acid, 1,6-bis(2-methylpropyl) 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: 26-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23508Hexanedioic acid, bis(2-methylpropyl) ester: Does not have an individual approval but may be used under an appropriate group standard
Weitere Sicherheitsinformationen	Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Gefahrenübersicht	Increased malformations in fetal rats after treatment of pregnant animals on days 5, 10, and 15 with 1.9 mL/kg[REPROTOX] Intraperitoneal TDLo (rat) = 595 mg/kg (5-15D preg) for developmental abnormalitiesIntraperitoneal LD50 (rat) = 5950 uL/kg[RTECS] May cause irritation[MSDSonline]
FDA-Anforderungen	Diisobutyl adipate is an indirect food additive for use only as a component of adhesives.

Anwendungen & Verwendung

Verwenden

Diisobutyl Adipate can be used inthe yeast two-hybrid assay to identifyligand-dependent interaction between nuclear hormone receptors and coactivators. It can also be employed in microwave-assisted extraction to determine adipate plasticizers in poly(vinyl chloride). Furthermore,Diisobutyl Adipate is a useful compound for developing antimicrobial agents as antiseptics.