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Diisodecyl Adipate

CAT: 0286-D32250-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0286-D32250-01Size:100 g
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CAS Number
27178-16-1
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00048392
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
DOT Name
Not D.O.T.-Regulated
Precautions
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

Diisodecyl Adipate
CAS Number27178-16-1
PubChem CID33733
IUPAC Namebis(8-methylnonyl) hexanedioate
Molecular FormulaC26H50O4
Molecular Weight426.7
XLogP9
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count23
Heavy Atom Count30
Formal Charge0
Complexity366
SMILES
CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C
InChI
InChI=1S/C26H50O4/c1-23(2)17-11-7-5-9-15-21-29-25(27)19-13-14-20-26(28)30-22-16-10-6-8-12-18-24(3)4/h23-24H,5-22H2,1-4H3
InChIKey
YKGYQYOQRGPFTO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diisodecyl Adipate
CAS: 27178-16-1
CID: 33733
Formula: C26H50O4
MW: 426.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.7
XLogP39
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count23
Exact Mass426.37091007
Monoisotopic Mass426.37091007
Topological Polar Surface Area52.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity366
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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CatalogName
OR1030099-01Diisodecyl Adipate
TRC-D455215-50MGDiisodecyl Phthalate
TRC-D455217-50MGDiisodecyl Phthalate-d4
LC-10576.1Diisodecyl phthalate for synthesis
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FH61692-01Hexamethylenediamine adipate
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HY-W015301-01Dimethyl adipate
HY-116242-01Dioctyl adipate

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