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N-Heptyl 4-hydroxybenzoate

CAT: 0804-HY-W150903-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W150903-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
N-Heptyl 4-hydroxybenzoate (p-Oxybenzoesaureheptylester) is an antimicrobial agent that inhibits S. aureus with MIC of 12.5 μg/mL. N-Heptyl 4-hydroxybenzoate also against plant pathogenic fungi, such as Alternaria brassicicola, F. solani, C. dematium and C. acutatum[1][2].
CAS Number
1085-12-7
Product Name Alternative
P-Oxybenzoesaureheptylester
UNSPSC
12352005
Hazard Statement
H315-H319-H335
Target
Bacterial; Fungal
Related Pathways
Anti-infection
Field of Research
Infection
Smiles
CCCCCCCOC(=O)C1=CC=C(C=C1)O
Molecular Formula
C14H20O3
Molecular Weight
236.31
Precautions
P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
References & Citations
[1]Ito S, Yazawa S, Nakagawa Y, Sasaki Y, Yajima S. Effects of alkyl parabens on plant pathogenic fungi. Bioorg Med Chem Lett. 2015 Apr 15;25 (8) :1774-1777.|[2]phenolic antioxidants for inhibition of foodborne Staphylococcus aureus, Bacillus cereus and Pseudomonas fluorescens. Food Control. Volume 30, Issue 2, April 2013, Pages 393-399.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

Heptyl p-hydroxybenzoate

Heptyl p-hydroxybenzoate is a benzoate ester.

CAS Number1085-12-7
PubChem CID14138
IUPAC Nameheptyl 4-hydroxybenzoate
Molecular FormulaC14H20O3
Molecular Weight236.31
XLogP4.8
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count17
Formal Charge0
Complexity208
SMILES
CCCCCCCOC(=O)C1=CC=C(C=C1)O
InChI
InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h7-10,15H,2-6,11H2,1H3
InChIKey
ZTJORNVITHUQJA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Heptyl p-hydroxybenzoate
CAS: 1085-12-7
CID: 14138
Formula: C14H20O3
MW: 236.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.31
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass236.14124450
Monoisotopic Mass236.14124450
Topological Polar Surface Area46.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity208
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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