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Bis (2-ethylhexyl) adipate

CAT: 0286-B13810-01Size: 250 gDry Ice: NoHazardous: No
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CAT#:0286-B13810-01Size:250 g
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CAS Number
103-23-1
Synonyms
Adipic acid di (2-ethylhexyl) ester; DOA; DEHA
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00009496
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Bis(2-ethylhexyl) adipate

Bis(2-ethylhexyl) adipate is a diester resulting from the formal condensation of the carboxy groups of adipic acid with 2-ethylhexan-1-ol. It is used as a plasticiser in the preparation of various polymers. It has a role as a plasticiser. It is a member of dicarboxylic acids and O-substituted derivatives, a carboxylic ester and a diester. It is functionally related to a 2-ethylhexan-1-ol and an adipic acid.

CAS Number103-23-1
PubChem CID7641
IUPAC Namebis(2-ethylhexyl) hexanedioate
Molecular FormulaC22H42O4
Molecular Weight370.6
XLogP6.8
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count19
Heavy Atom Count26
Formal Charge0
Complexity320
SMILES
CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC
InChI
InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3
InChIKey
SAOKZLXYCUGLFA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis(2-ethylhexyl) adipate
CAS: 103-23-1
CID: 7641
Formula: C22H42O4
MW: 370.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.6
XLogP36.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count19
Exact Mass370.30830982
Monoisotopic Mass370.30830982
Topological Polar Surface Area52.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity320
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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FB62538-01Bis (2-ethylhexyl) adipate
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TRC-B433813-10MGBis(2-ethylhexyl)adipate-13C6
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