Amyl salicylate

CAT: 0931-T30045-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T30045-01Size:100 mg

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CAS Number

2050-08-0

Target

Others

Related Pathways

Others

Bioactivity

Amyl salicylate is a biochemical.

Smiles

O=C(OCCCCC)C=1C=CC=CC1O

Molecular Formula

C12H16O3

Molecular Weight

208.25

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Amyl Salicylate

Amyl salicylate is a benzoate ester.

CAS Number	2050-08-0
PubChem CID	16299
IUPAC Name	pentyl 2-hydroxybenzoate
Molecular Formula	C12H16O3
Molecular Weight	208.25
XLogP	5.2
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	15
Formal Charge	0
Complexity	191

SMILES

CCCCCOC(=O)C1=CC=CC=C1O

InChI

InChI=1S/C12H16O3/c1-2-3-6-9-15-12(14)10-7-4-5-8-11(10)13/h4-5,7-8,13H,2-3,6,9H2,1H3

InChIKey

RANVDUNFZBMTBK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2050-08-0

CID: 16299

Formula: C12H16O3

MW: 208.25

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	208.25
XLogP3	5.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	208.109944368
Monoisotopic Mass	208.109944368
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	191
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

Related Products

Catalog	Name
T20310	Amyl valerate
T60290-01	Benzyl salicylate
T0399	Methyl salicylate
T27597-01	Imidazole Salicylate
T20250-01	Phenyl salicylate
T20668-01	Lead salicylate
T60665-01	Magnesium salicylate
T32202-01	Isoamyl salicylate
T30738	Carbazochrome salicylate
TN1625-01	Ethyl salicylate

Alternative Products

Catalog	Name
591642	Amyl salicylate
010645	Amyl Salicylate for Synthesis
MBS340874-01	Salicylate
3122860	Iso amyl acetate (Amyl acetate iso)
3120710	Amyl acetate iso (Iso amyl acetate)
AAA62863-01	Amyl Acetate
sc-485238	Amyl formate
sc-486119	Amyl Nitrite
OR1029107-01	Amyl Benzoate
A31070-01	Amyl butyrate

Amyl salicylate

Chemical Information

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