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ISOAMYL SALICYLATE

CAS 87-20-7C12H16O3MW 208.11 g/mol

ISOAMYL SALICYLATE (CAS 87-20-7) — formula C12H16O3, molecular weight 208.11 g/mol; category organic chemicals.

Product Overview

CAS Number87-20-7
Molecular FormulaC12H16O3
Molecular Weight208.11 g/mol
Boiling Point277.00 to 278.00 °C. @ 760.00 mm Hg
LogP4.370
CategoryOrganic Chemicals

Technical Profile

What this product is

ISOAMYL SALICYLATE is a carbon-based organic compound with CAS registry number 87-20-7 and molecular formula C12H16O3 (molecular weight 208.11 g/mol), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 87-20-7

Its molecular formula C12H16O3 comprises 12 C, 16 H, 3 O atoms.

Also known as: ISOAMYL SALICYLATE · 水杨酸异戊酯

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of ISOAMYL SALICYLATE?

The CAS registry number of ISOAMYL SALICYLATE is 87-20-7.

What is the molecular formula and molecular weight of ISOAMYL SALICYLATE?

Molecular formula C12H16O3, molecular weight 208.11 g/mol.

What other names is ISOAMYL SALICYLATE known by?

It is also registered under: ISOAMYL SALICYLATE, 水杨酸异戊酯.

Which category does ISOAMYL SALICYLATE belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for ISOAMYL SALICYLATE (CAS 87-20-7), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number87-20-7
PubChem CID6874
Molecular formulaC12H16O3
Molecular weight208.11 g/mol
IUPAC name3-methylbutyl 2-hydroxybenzoate
InChIKeyPMGCQNGBLMMXEW-UHFFFAOYSA-N
UNII (FDA)M25E4ZMR0N
ChEBI IDCHEBI:173601
FEMA number2084
JECFA number903

Computed descriptors

Molecular Weight208.25
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass208.109944368
Monoisotopic Mass208.109944368
Topological Polar Surface Area46.5
Heavy Atom Count15

Physicochemical values on record

Boiling Point277.00 to 278.00 °C. @ 760.00 mm Hg
Boiling Point277 °C
Solubility0.145 mg/mL at 25 °C
Density1.046-1.055
LogP4.370
Refractive Index1.504-1.509

Documented uses on record

    Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional ClassesFlavoring Agents -> JECFA Flavorings Index

    Synonyms and trade names

    Isoamyl salicylate; 87-20-7; 3-Methylbutyl 2-hydroxybenzoate; Isopentyl salicylate; 3-Methylbutyl salicylate; Benzoic acid, 2-hydroxy-, 3-methylbutyl ester; Salicylic acid, isopentyl ester; FEMA No. 2084; 2-Hydroxybenzoic acid, 3-methylbutyl ester; M25E4ZMR0N; DTXSID9041655; NSC-7952; RefChem:149007; DTXCID7021655; 201-730-4; Isopentyl 2-Hydroxybenzoate

    Regulatory listings held on file

    Regulatory & Food ContactEU Flavoring substances
    FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
    Flavoring Agents
    FLAVOURING_AGENT: Flavouring Agent
    Fruit
    No safety concern at current levels of intake when used as a flavouring agent
    GHS notification summary0.1% (1 / 711)

    GHS hazard classification

    GHS notification summary0.1% (1 / 711)
    Reported hazard statementsH302 (26.2%), H411 (99.7%)

    This chemical does not meet GHS hazard criteria for 0.1% (1 of 711) of reports.

    H302 (26.2%): Harmful if swallowed [Warning Acute toxicity, oral]

    What the public record says

    ISOAMYL SALICYLATE is identified by CAS 87-20-7, molecular formula C12H16O3 and molecular weight 208.11 g/mol. UNII M25E4ZMR0N; ChEBI 173601; InChIKey PMGCQNGBLMMXEW-UHFFFAOYSA-N. Boiling Point: 277.00 to 278.00 °C. @ 760.00 mm Hg; Boiling Point: 277 °C; Solubility: 0.145 mg/mL at 25 °C.

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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Supplier: Jinan Shenghe Chemical Co., Ltd.

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