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Bis(2-ethoxyethyl) adipate

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  • Name Bis(2-ethoxyethyl) adipate
  • EINECS203-673-0
  • CAS No. 109-44-4
  • Density1.038 g/mL at 25 °C(lit.)
  • PSA71.06000
  • LogP1.70620
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC14H26 O6
  • Boiling Point164-166 °C4 mm Hg(lit.)
  • Molecular Weight290.357
  • Flash Point>230 °F
  • Transport InformationN/A
  • AppearanceClear colorless liquid
  • SafetyA severe skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
  • Risk Codes36/37/38
  • Molecular Structure
    Molecular Structure of 109-44-4 (BIS(2-ETHOXYETHYL)ADIPATE)
  • Hazard Symbols
  • Synonyms

Bis(2-ethoxyethyl) adipate Chemical Properties

IUPAC Name: bis(2-ethoxyethyl) hexanedioate 
Empirical Formula: C14H26O6
Molecular Weight: 290.3526g/mol
XLogP3-AA: 1
H-Bond Donor: 0
H-Bond Acceptor: 6
Rotatable Bond Count: 15
Exact Mass: 290.172939
MonoIsotopic Mass: 290.172939
Topological Polar Surface Area: 71.1
Heavy Atom Count: 20
Formal Charge: 0
Complexity: 228 
Index of Refraction: 1.442
Molar Refractivity: 73.94 cm3
Molar Volume: 279.3 cm3
Polarizability: 29.31×10-24cm3
Surface Tension: 34.7 dyne/cm
Density: 1.039 g/cm3
Flash Point: 153.7 °C
Enthalpy of Vaporization: 60.46 kJ/mol
Boiling Point: 359.1 °C at 760 mmHg
Vapour Pressure: 2.44E-05 mmHg at 25°C
Canonical SMILES: CCOCCOC(=O)CCCCC(=O)OCCOCC
InChI: InChI=1S/C14H26O6/c1-3-17-9-11-19-13(15)7-5-6-8-14(16)20-12-10-18-4-2/h3-12H2,1-2H3
InChIKey: NJEMMCIKSMMBDM-UHFFFAOYSA-N
Structure of Bis(2-ethoxyethyl) adipate (CAS NO.109-44-4):

Bis(2-ethoxyethyl) adipate Toxicity Data With Reference

1.    

skn-man 50 mg/24H MLD

    CTOIDG    Cosmetics and Toiletries. 94 (8)(1979),41.
2.    

skn-rat 100 mg/24H MLD

    CTOIDG    Cosmetics and Toiletries. 94 (8)(1979),41.
3.    

skn-rbt 100 mg/24H SEV

    CTOIDG    Cosmetics and Toiletries. 94 (8)(1979),41.
4.    

skn-gpg 100 mg/24H MLD

    CTOIDG    Cosmetics and Toiletries. 94 (8)(1979),41.

Bis(2-ethoxyethyl) adipate Consensus Reports

Reported in EPA TSCA Inventory.

Bis(2-ethoxyethyl) adipate Safety Profile

Hazard Codes:Irritant Xi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: AU9300000
TSCA: T
A severe skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.

Bis(2-ethoxyethyl) adipate Specification

  Bis(2-ethoxyethyl) adipate , its cas register number is 109-44-4. It also can be called 4-02-00-01968 (Beilstein Handbook Reference) ; AI3-00675 ; BRN 1799041 ; EINECS 203-673-0 ; NSC 6796 . When heated to decomposition it emits acrid smoke and irritating fumes. Bis(2-ethoxyethyl) adipate (CAS NO.109-44-4) is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And wear suitable protective clothing when contacting with it.

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