N-Octyl 4-Hydroxybenzoate

CAT: 0572-TRC-O148473-500MGSize: 500 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-O148473-500MGSize:500 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1219-38-1

Hazard Statement

Causes skin irritation.

Purity

>95% (HPLC)

Smiles

CCCCCCCCOC(=O)c1ccc(O)cc1

Molecular Formula

C15H22O3

Molecular Weight

250.33

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Octylparaben

Octylparaben is a 4-hydroxybenzoate ester.

CAS Number	1219-38-1
PubChem CID	14642
IUPAC Name	octyl 4-hydroxybenzoate
Molecular Formula	C15H22O3
Molecular Weight	250.33
XLogP	5.4
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Heavy Atom Count	18
Formal Charge	0
Complexity	220

SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)O

InChI

InChI=1S/C15H22O3/c1-2-3-4-5-6-7-12-18-15(17)13-8-10-14(16)11-9-13/h8-11,16H,2-7,12H2,1H3

InChIKey

RIKCMEDSBFQFAL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1219-38-1

CID: 14642

Formula: C15H22O3

MW: 250.33

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	250.33
XLogP3	5.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Exact Mass	250.15689456
Monoisotopic Mass	250.15689456
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	220
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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sc-269873	N-Octyl 4-hydroxybenzoate
HY-W150053S	N-Octyl 4-hydroxybenzoate-d4
O01960-01	N-Octyl-p-hydroxybenzoate 98%
459560-01	N-Octyl 4-Hydroxybenzoate-2,3,5,6-D4
GTR19274653-01	N-Octyl-α-4-epivalienamine
sc-482137	4-Octyl-N-phenylaniline
GTR19305013-01	N-Octyl-4-methylcaffeate
FP64887-01	N-Pentyl 4-hydroxybenzoate
FP63482-01	N-Propyl-4-hydroxybenzoate
T211627-01	N-Heptyl 4-hydroxybenzoate

N-Octyl 4-Hydroxybenzoate

Chemical Information

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