2-氨基苯甲酸异丁酯

Description

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).

Identification

CAS Registry Number	7779-77-3
PubChem CID	24515
Molecular formula	C11H15NO2
Molecular weight	193.11 g/mol
IUPAC name	2-methylpropyl 2-aminobenzoate
InChIKey	ILCLJQFCMRCPNM-UHFFFAOYSA-N
UNII (FDA)	42VU4JGT90
ChEBI ID	CHEBI:179249
FEMA number	2182
JECFA number	1537

Computed Descriptors

Molecular Weight	193.24
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	193.110278721
Monoisotopic Mass	193.110278721
Topological Polar Surface Area	52.3
Heavy Atom Count	14
Formal Charge	0

Physical & Chemical Properties

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)
Density	1.057-1.063
Refractive Index	1.534-1.540

Physical description & handling notes

• Isobutyl anthranilate is a brown liquid. Insoluble in water. (NTP, 1992)
• Colourless to pale yellow liquid; Faint orange blossom-like aroma
• Insoluble (NTP, 1992)
• Insoluble in water; Soluble in oils
• Soluble (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU 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 summary	98.9% (89 / 90)

GHS Hazard Classification

GHS notification summary	98.9% (89 / 90)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Benzoic acid, 2-amino-, 2-methylpropyl ester: INACTIVE

Synonyms

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

Frequently Asked Questions

What are the CAS number and molecular formula of isobutyl anthranilate?

CAS 7779-77-3; molecular formula C11H15NO2; molecular weight 193.11 g/mol.

What other names is isobutyl anthranilate known by?

ISOBUTYL ANTHRANILATE, Isobutyl 2-aminobenzoate, 2-Methylpropyl 2-aminobenzoate, Isobutyl O-aminobenzoate, Anthranilic acid, isobutyl ester, FEMA No. 2182.

What is the regulatory status of isobutyl anthranilate?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is isobutyl anthranilate classified as hazardous?

98.9% of GHS notifications report no hazard classification (89 of 90).

What are the key physical properties of isobutyl anthranilate?

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); Density: 1.057-1.063.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.