P-Hexadecyloxybenzoic acid 95 %

CAT: 0286-H03315-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0286-H03315-01Size:5 g

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CAS Number

15872-48-7

Pictogram

07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00002544

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

4-Hexadecyloxybenzoic acid

CAS Number	15872-48-7
PubChem CID	259635
IUPAC Name	4-hexadecoxybenzoic acid
Molecular Formula	C23H38O3
Molecular Weight	362.5
XLogP	9.3
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	17
Heavy Atom Count	26
Formal Charge	0
Complexity	321

SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C23H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26-22-18-16-21(17-19-22)23(24)25/h16-19H,2-15,20H2,1H3,(H,24,25)

InChIKey

GAQCVRTXIAGNEM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15872-48-7

CID: 259635

Formula: C23H38O3

MW: 362.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	362.5
XLogP3	9.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	17
Exact Mass	362.28209507
Monoisotopic Mass	362.28209507
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	321
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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P-Hexadecyloxybenzoic acid 95 %

Chemical Information

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