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Diisononyl adipate

CAT: 0286-D32305-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-D32305-01Size:25 g
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CAS Number
33703-08-1
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00054165
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

Diisononyl Adipate

Diisononyl adipate is a colorless liquid. (USCG, 1999)

CAS Number33703-08-1
PubChem CID6427097
IUPAC Namebis(7-methyloctyl) hexanedioate
Molecular FormulaC24H46O4
Molecular Weight398.6
XLogP7.9
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count21
Heavy Atom Count28
Formal Charge0
Complexity341
SMILES
CC(C)CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C
InChI
InChI=1S/C24H46O4/c1-21(2)15-9-5-7-13-19-27-23(25)17-11-12-18-24(26)28-20-14-8-6-10-16-22(3)4/h21-22H,5-20H2,1-4H3
InChIKey
AYWLCKHHUFBVGJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diisononyl Adipate
CAS: 33703-08-1
CID: 6427097
Formula: C24H46O4
MW: 398.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.6
XLogP37.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count21
Exact Mass398.33960994
Monoisotopic Mass398.33960994
Topological Polar Surface Area52.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity341
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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OR1028203-01DIIsononyl Adipate
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