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Dipropylene glycol dipelargonate

CAT: 0286-D53110-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0286-D53110-01Size:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
29059-00-5
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00048949
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes 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

Nonanoic acid, diester with oxybis(propanol)
CAS Number29059-00-5
PubChem CID114078
IUPAC Name3-(3-nonanoyloxypropoxy)propyl nonanoate
Molecular FormulaC24H46O5
Molecular Weight414.6
XLogP7.6
Topological Polar Surface Area61.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count24
Heavy Atom Count29
Formal Charge0
Complexity336
SMILES
CCCCCCCCC(=O)OCCCOCCCOC(=O)CCCCCCCC
InChI
InChI=1S/C24H46O5/c1-3-5-7-9-11-13-17-23(25)28-21-15-19-27-20-16-22-29-24(26)18-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKey
QNQFILNCKAALEB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nonanoic acid, diester with oxybis(propanol)
CAS: 29059-00-5
CID: 114078
Formula: C24H46O5
MW: 414.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.6
XLogP37.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count24
Exact Mass414.33452456
Monoisotopic Mass414.33452456
Topological Polar Surface Area61.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity336
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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