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isobutyl anthranilate

CAS 7779-77-3C11H15NO2MW 193.11 g/mol

isobutyl anthranilate (CAS 7779-77-3) — formula C11H15NO2, molecular weight 193.11 g/mol; category organic chemicals.

Product Overview

CAS Number7779-77-3
Molecular FormulaC11H15NO2
Molecular Weight193.11 g/mol
Boiling Point313 to 315 °F at 13.5 mmHg (NTP, 1992)
LogP3.5
CategoryOrganic Chemicals

Technical Profile

What this product is

isobutyl anthranilate is a carbon-based organic compound with CAS registry number 7779-77-3 and molecular formula C11H15NO2 (molecular weight 193.11 g/mol), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 7779-77-3

Its molecular formula C11H15NO2 comprises 11 C, 15 H, 1 N, 2 O atoms.

Also known as: isobutyl anthranilate · 2-氨基苯甲酸异丁酯

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of isobutyl anthranilate?

The CAS registry number of isobutyl anthranilate is 7779-77-3.

What is the molecular formula and molecular weight of isobutyl anthranilate?

Molecular formula C11H15NO2, molecular weight 193.11 g/mol.

What other names is isobutyl anthranilate known by?

It is also registered under: isobutyl anthranilate, 2-氨基苯甲酸异丁酯.

Which category does isobutyl anthranilate belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for isobutyl anthranilate (CAS 7779-77-3), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number7779-77-3
PubChem CID24515
Molecular formulaC11H15NO2
Molecular weight193.11 g/mol
IUPAC name2-methylpropyl 2-aminobenzoate
InChIKeyILCLJQFCMRCPNM-UHFFFAOYSA-N
UNII (FDA)42VU4JGT90
ChEBI IDCHEBI:179249
FEMA number2182
JECFA number1537

Computed descriptors

Molecular Weight193.24
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass193.110278721
Monoisotopic Mass193.110278721
Topological Polar Surface Area52.3
Heavy Atom Count14

Physicochemical values on record

Boiling Point313 to 315 °F at 13.5 mmHg (NTP, 1992)
Boiling Point118.00 to 122.00 °C. @ 3.00 mm Hg
Boiling Point169-170 °C (13.5 mm Hg)
Density1.057-1.063
Refractive Index1.534-1.540

Documented uses on record

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

    Synonyms and trade names

    ISOBUTYL ANTHRANILATE; Isobutyl 2-aminobenzoate; 2-Methylpropyl 2-aminobenzoate; Isobutyl O-aminobenzoate; Anthranilic acid, isobutyl ester; FEMA No. 2182; Benzoic acid, 2-amino-, 2-methylpropyl ester; CCRIS 6251; EINECS 231-938-0; UNII-42VU4JGT90; 42VU4JGT90; iso-butyl anthranilate; AI3-03443; DTXSID8025460; ISOBUTYL ANTHRANILATE [FHFI]; RefChem:149076

    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 summary98.9% (89 / 90)

    GHS hazard classification

    GHS notification summary98.9% (89 / 90)

    This chemical does not meet GHS hazard criteria for 98.9% (89 of 90) of all reports.

    Reported as not meeting GHS hazard criteria by 89 of 90 companies (only 1.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

    What the public record says

    isobutyl anthranilate is identified by CAS 7779-77-3, molecular formula C11H15NO2 and molecular weight 193.11 g/mol. UNII 42VU4JGT90; ChEBI 179249; InChIKey ILCLJQFCMRCPNM-UHFFFAOYSA-N. Boiling Point: 313 to 315 °F at 13.5 mmHg (NTP, 1992); Boiling Point: 118.00 to 122.00 °C. @ 3.00 mm Hg; Boiling Point: 169-170 °C (13.5 mm Hg).

    Physical description and handling notes

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

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中文页面: 2-氨基苯甲酸异丁酯

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