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Isobutyl 3-(2-furan)propionate

CAS 105-01-1C11H16O3MW 196.11 g/mol

Isobutyl 3-(2-furan)propionate (CAS 105-01-1) — formula C11H16O3, molecular weight 196.11 g/mol.

Product Overview

CAS Number105-01-1
Molecular FormulaC11H16O3
Molecular Weight196.11 g/mol
Boiling Point105.00 °C. @ 3.00 mm Hg
LogP2.3

Technical Profile

What this product is

Isobutyl 3-(2-furan)propionate is a chemical compound with CAS registry number 105-01-1 and molecular formula C11H16O3 (molecular weight 196.11 g/mol).

Identification

CAS number: 105-01-1

Its molecular formula C11H16O3 comprises 11 C, 16 H, 3 O atoms.

Also known as: Isobutyl 3-(2-furan)propionate · isobutyl furan-2-propionate

Frequently Asked Questions

What is the CAS number of Isobutyl 3-(2-furan)propionate?

The CAS registry number of Isobutyl 3-(2-furan)propionate is 105-01-1.

What is the molecular formula and molecular weight of Isobutyl 3-(2-furan)propionate?

Molecular formula C11H16O3, molecular weight 196.11 g/mol.

What other names is Isobutyl 3-(2-furan)propionate known by?

It is also registered under: Isobutyl 3-(2-furan)propionate, isobutyl furan-2-propionate.

PubChem Public Data

Independent reference data for Isobutyl 3-(2-furan)propionate (CAS 105-01-1), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number105-01-1
PubChem CID7733
Molecular formulaC11H16O3
Molecular weight196.11 g/mol
IUPAC name2-methylpropyl 3-(furan-2-yl)propanoate
InChIKeySVDPTFHRRNUNRS-UHFFFAOYSA-N
UNII (FDA)VTW5O0BY7T
ChEBI IDCHEBI:169336
FEMA number2198
JECFA number1514

Computed descriptors

Molecular Weight196.24
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass196.109944368
Monoisotopic Mass196.109944368
Topological Polar Surface Area39.4
Heavy Atom Count14

Physicochemical values on record

Boiling Point105.00 °C. @ 3.00 mm Hg
Boiling Point105 (3 mm Hg)
Density1.007-1.013
Refractive Index1.531-1.537

Documented uses on record

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

    Synonyms and trade names

    105-01-1; Isobutyl furfurylacetate; Isobutyl 2-furanpropionate; 2-methylpropyl 3-(furan-2-yl)propanoate; 2-Methylpropyl 2-furanpropanoate; Isobutyl-2-furanpropionate; Isobutyl 3-(2-furyl)propanoate; Isobutyl furan-2-propionate; FEMA No. 2198; 2-Furanpropanoic acid, 2-methylpropyl ester; 2-FURANPROPIONIC ACID, ISOBUTYL ESTER; Isobutyl 3-(2-furan)propionate; VTW5O0BY7T; EINECS 203-261-0; BRN 4991049; DTXSID4051532

    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
    Floral
    2-METHYLPROPYL 3-(2-FURYL)PROPANOATE
    GHS notification summary88.8% (308 / 347)

    GHS hazard classification

    GHS notification summary88.8% (308 / 347)
    Reported hazard statementsH302 (11.2%), H312 (11.2%)

    This chemical does not meet GHS hazard criteria for 88.8% (308 of 347) of all reports.

    H302 (11.2%): Harmful if swallowed [Warning Acute toxicity, oral]

    What the public record says

    Isobutyl 3-(2-furan)propionate is identified by CAS 105-01-1, molecular formula C11H16O3 and molecular weight 196.11 g/mol. UNII VTW5O0BY7T; ChEBI 169336; InChIKey SVDPTFHRRNUNRS-UHFFFAOYSA-N. Boiling Point: 105.00 °C. @ 3.00 mm Hg; Boiling Point: 105 (3 mm Hg); Density: 1.007-1.013.

    Physical description and handling notes

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

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