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Hexyl salicylate

CAT: 0804-HY-W013521-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W013521-01Size:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Hexyl Salicylate is a commonly used fragrance component, widely applied in cosmetics, perfumes, cleaning products, etc. Hexyl Salicylate has low acute toxicity, no irritation to human skin, no phototoxicity and no photosensitization[1].
CAS Number
6259-76-3
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Others
Related Pathways
Others
Field of Research
Others
Purity
99.44
Smiles
O=C(C1=C(O)C=CC=C1)OCCCCCC
Molecular Formula
C13H18O3
Molecular Weight
222.28
Precautions
H315, H319, H335
References & Citations
[1]Lapczynski A, et al. Fragrance material review on hexyl salicylate. Food Chem Toxicol. 2007;45 Suppl 1:S410-7.
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

Hexyl Salicylate

Hexyl salicylic acid is a benzoate ester.

CAS Number6259-76-3
PubChem CID22629
IUPAC Namehexyl 2-hydroxybenzoate
Molecular FormulaC13H18O3
Molecular Weight222.28
XLogP5.7
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count16
Formal Charge0
Complexity203
SMILES
CCCCCCOC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C13H18O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h5-6,8-9,14H,2-4,7,10H2,1H3
InChIKey
DUKPKQFHJQGTGU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hexyl Salicylate
CAS: 6259-76-3
CID: 22629
Formula: C13H18O3
MW: 222.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.28
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass222.125594432
Monoisotopic Mass222.125594432
Topological Polar Surface Area46.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity203
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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