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P-Pentyloxybenzoic Acid 95%

CAT: 0286-P04768-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-P04768-01Size:5 g
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CAS Number
15872-41-0
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00013990
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

Benzoic acid, 4-(pentyloxy)-
CAS Number15872-41-0
PubChem CID85153
IUPAC Name4-pentoxybenzoic acid
Molecular FormulaC12H16O3
Molecular Weight208.25
XLogP4.1
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count15
Formal Charge0
Complexity183
SMILES
CCCCCOC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C12H16O3/c1-2-3-4-9-15-11-7-5-10(6-8-11)12(13)14/h5-8H,2-4,9H2,1H3,(H,13,14)
InChIKey
OZPPUPJQRJYTNY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzoic acid, 4-(pentyloxy)-
CAS: 15872-41-0
CID: 85153
Formula: C12H16O3
MW: 208.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.25
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass208.109944368
Monoisotopic Mass208.109944368
Topological Polar Surface Area46.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity183
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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