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2-Ethylhexyl p-dimethylaminobenzoate

CAT: 0286-E10652-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-E10652-01Size:25 g
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CAS Number
21245-02-3
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00017526
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; P321 Specific treatment (see … on this label) ; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P405 Store locked up.

Chemical Information

Padimate-O

Padimate O is a benzoate ester.

CAS Number21245-02-3
PubChem CID30541
IUPAC Name2-ethylhexyl 4-(dimethylamino)benzoate
Molecular FormulaC17H27NO2
Molecular Weight277.4
XLogP5
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count20
Formal Charge0
Complexity270
SMILES
CCCCC(CC)COC(=O)C1=CC=C(C=C1)N(C)C
InChI
InChI=1S/C17H27NO2/c1-5-7-8-14(6-2)13-20-17(19)15-9-11-16(12-10-15)18(3)4/h9-12,14H,5-8,13H2,1-4H3
InChIKey
WYWZRNAHINYAEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Padimate-O
CAS: 21245-02-3
CID: 30541
Formula: C17H27NO2
MW: 277.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight277.4
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass277.204179104
Monoisotopic Mass277.204179104
Topological Polar Surface Area29.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity270
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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