Isoamyl salicylate
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Isoamyl salicylate
structure -
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CAS No:
87-20-7
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Formula:
C12H16O3
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Chemical Name:
Isoamyl salicylate
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Synonyms:
Benzoic acid,2-hydroxy-,3-methylbutyl ester;Salicylic acid,isopentyl ester;Isopentyl alcohol,salicylate;Isoamyl o-hydroxybenzoate;Isopentyl salicylate;Isoamyl salicylate;3-Methylbutyl salicylate;NSC 7952;Isoamyl 2-hydroxybenzoate;3-Methylbutyl 2-hydroxybenzoate;Isopentyl 2-hydroxybenzoate;34377-38-3
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CAS No:
Description
Isoamyl salicylate has a pleasant, sweet, slightly floral, herbaceous-green odor and a bittersweet taste reminiscent of strawberry. Water-white liquid; sometimes having a faint yellow tinge which should not be pink or red; orchid-like odor. Soluble in alcohol, ether; insoluble in water and glycerol. Combustible. Isoamyl Salicylate has been found in a number of fruit aromas. It is a colorless liquid with a sweet, clover-like odor and is used in perfumery for floral and herbal notes, particularl
colourless oily liquid with a sweet herbaceous-green, slightly floral odour
Isoamyl salicylate is a benzoate ester and a member of phenols. It derives from a salicylic acid.
Characteristics
46.5
4.6
colourless oily liquid with a sweet herbaceous-green, slightly floral odour
1.05 g/mL at 25 °C(lit.)
278 °C
>230 °F
1.507
145mg/L(25 ºC)
Keep tightly closed. Store in a cool dry place.
Safety Information
9
UN 3082 9/PG 3
2
51/53
61
VO4375000
N
Stable at normal temperatures and pressures.
P273, P391, P501
H411
|Warning|H302 (11.22%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P301+P312, P330, P391, and P501|Aggregated GHS information provided by 598 companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Isoamyl salicylate Use and Manufacturing
From isoamyl alcohol and salicylic acid esterification and fractionation.
In perfumery and soaps.
Benzoic acid, 2-hydroxy-, 3-methylbutyl ester: ACTIVE
EPA Safer Chemical Functional Use Classes -> Fragrances|Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues|Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:208.25
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:208.109944368
Monoisotopic Mass:208.109944368
Topological Polar Surface Area:46.5
Heavy Atom Count:15
Complexity:201
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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