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141-18-4

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Basic Information
CAS No.: 141-18-4
Name: BIS(2-BUTOXYETHYL) ADIPATE
Molecular Structure:
Molecular Structure of 141-18-4 (BIS(2-BUTOXYETHYL) ADIPATE)
Formula: C18H34 O6
Molecular Weight: 346.52
Synonyms: Adipicacid, bis(2-butoxyethyl) ester (6CI,7CI,8CI); Hexanedioic acid,bis(2-butoxyethyl) ester (9CI); Ethanol, 2-butoxy-, adipate (2:1) (8CI); Adipicacid, bis(ethylene glycol monobutyl ether) ester; Adipol BCA;Bis(2-butoxyethyl) adipate; Bis(butoxyethyl) adipate; Bis(ethylene glycolmonobutyl ether) adipate; D 931; Di(2-butoxyethyl) adipate; Di(butoxyethyl)adipate; NSC 4813; Plasthall 203; Staflex DBEA; Sunkonol 0862-0
Density: 1.003 g/cm3
Melting Point: -34 °C
Boiling Point: 217 °C / 11mmHg，417.5 °C at 760 mmHg
Flash Point: 177.6 °C
Solubility: slightly soluble in water, soluble in most organic matter
Appearance: white to slightly yellowish crystalline powder
Hazard Symbols: Xi
Risk Codes: R36/37/38
Safety: Moderately toxic by intraperitoneal route. See also ESTERS. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 71.06000
LogP: 3.26660
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Chemistry

Molecular Formula: C18H34O6
Molar mass: 346.46 g/mol
EINECS: 205-466-0
Density: 1.003 g/cm3
Flash Point: 177.6 °C
Index of Refraction: 1.448
Boiling Point: 417.5 °C at 760 mmHg
Vapour Pressure: 3.54E-07 mmHg at 25°C
Product categories of Bis(2-butoxyethyl) adipate (141-18-4): Fatty Acid Esters (Plasticizer);Functional Materials
Structure of Bis(2-butoxyethyl) adipate (141-18-4):

XLogP3-AA: 2.8
H-Bond Donor: 0
H-Bond Acceptor: 6
Systematic Name: Bis(2-butoxyethyl) hexanedioate 
SMILES: O=C(OCCOCCCC)CCCCC(=O)OCCOCCCC 
InChI: InChI=1/C18H34O6/c1-3-5-11-21-13-15-23-17(19)9-7-8-10-18(20)24-16-14-22-12-6-4-2/h3-16H2,1-2H3 
InChIKey: IHTSDBYPAZEUOP-UHFFFAOYAO 
Std. InChI: InChI=1S/C18H34O6/c1-3-5-11-21-13-15-23-17(19)9-7-8-10-18(20)24-16-14-22-12-6-4-2/h3-16H2,1-2H3 
Std. InChIKey: IHTSDBYPAZEUOP-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

ipr-rat LD50:600 mg/kg

     14CYAT    Industrial Hygiene and Toxicology. 2 (1963),1882.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by intraperitoneal route. See also ESTERS. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

 Bis(2-butoxyethyl) adipate (141-18-4) also can be called Adipic acid, dibutoxyethyl ester ; Di(2-butoxyethyl) adipate ; Dibutyl cellosolve adipate ; Dibutoxyethyl adipate ;and Butyl "cellosolve" adipate (bca) .