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Dimethyl-1,10-decanedicarboxylate

CAT: 0286-D39245Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-D39245Size:25 g
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CAS Number
1731-79-9
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00043632
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
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

Dimethyl dodecanedioate
CAS Number1731-79-9
PubChem CID74415
IUPAC Namedimethyl dodecanedioate
Molecular FormulaC14H26O4
Molecular Weight258.35
XLogP4.1
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Heavy Atom Count18
Formal Charge0
Complexity202
SMILES
COC(=O)CCCCCCCCCCC(=O)OC
InChI
InChI=1S/C14H26O4/c1-17-13(15)11-9-7-5-3-4-6-8-10-12-14(16)18-2/h3-12H2,1-2H3
InChIKey
IZMOTZDBVPMOFE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dimethyl dodecanedioate
CAS: 1731-79-9
CID: 74415
Formula: C14H26O4
MW: 258.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.35
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Exact Mass258.18310931
Monoisotopic Mass258.18310931
Topological Polar Surface Area52.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity202
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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Alternative Products

CatalogName
sc-268927Dimethyl 1,10-decanedicarboxylate
sc-278983Dimethyl perfluoro-1,10-decanedicarboxylate
TRC-D460000-50MGDimethyl Perfluoro-1,10-decanedicarboxylate (~90%)
PC3016H-01Dimethyl perfluorodecane-1,10-dicarboxylate
PC5802-01Perfluoro (10,10-dimethyl-1-iodo-9-oxadecane)
OR93227-015,6-Dimethyl-1,10-phenanthroline
274618-014,7-Dimethyl-1,10-phenanthroline
FD32093-012,9-Dimethyl-1,10-phenanthroline
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