Isoamyl o-hydroxybenzoate
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Isoamyl o-hydroxybenzoate
structure -
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CAS No:
87-20-7
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Formula:
C12H16O3
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Chemical Name:
Isoamyl o-hydroxybenzoate
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Synonyms:
(3-methyl-1-butyl)salicylate;2-hydroxy-benzoicaci3-methylbutylester;2-hydroxybenzoicacid3-methylbutylester;3-Methylbutyl 2-hydroxybenzoate;3-methylbutyl2-hydroxybenzoate;Benzoic acid, o-hydroxy, 3-methylbutyl ester;Benzoicacid,2-hydroxy-,3-methylbutylester;Isoamylester kyseliny salicylove
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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.
Isoamyl salicylate has a characteristic aromatic, strong herbaceous, persistent odor and a bittersweet taste reminiscent of strawberry. May be prepared by esterification of salicylic acid with the isomeric amyl alcohols obtained from fusel oil and other sources.
Isoamyl o-hydroxybenzoate Basic Attributes
208.25
208.25
201-730-4
M25E4ZMR0N
7952
TSCA listed
DTXSID9041655
Colorless to Almost colorless
29182300
Characteristics
46.5
4.6
colourless oily liquid with a sweet herbaceous-green, slightly floral odour
1.05 g/mL at 25 °C(lit.)
277-278 °C(lit.)
>230 °F
n20/D1.507(lit.)
145mg/L(25 ºC)
Keep tightly closed. Store in a cool dry place.
8Pa at 20℃
Not classified
at 100.00 %. floral herbal woody orchid metallic
8.15±0.30(Predicted)
2-8°C
Safety Information
III
9
UN 3082 9/PG 3
2
N
61
VO4375000
N
Stable at normal temperatures and pressures.
P273, P391, P501
51/53
UN 3082 9/PG 3
|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 o-hydroxybenzoate Use and Manufacturing
From isoamyl alcohol and salicylic acid esterification and fractionation.
In perfumery and soaps.
Isoamyl Salicylate is used in preparation of Hydrogen Peroxide responsive Oxalic Acid derivatives for imaging and therapy.
Isoamyl o-hydroxybenzoate is used in perfumery and soaps. Extensively used in floral and non-floral perfume types: Very often in Carnation, Hyacinth, Orchid, Tretle, and almost inevitably in Fougere types. Its low cost and worldwide availability makes it one of the most important perfume chemicals. Occasionally used in "Root Beer" type flavors and certain Fruit flavors. Concentra- tion is usually mere traces (a few ppm in finished consumer product).
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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