邻氨基苯甲酸二甲酯

Description

Methyl N-methylanthranilate(Dimethyl anthranilate) is identified by CAS 85-91-6, molecular formula C9H11NO2 and molecular weight 165.08 g/mol. UNII 5Z37T562P9; ChEBI 142267; InChIKey GVOWHGSUZUUUDR-UHFFFAOYSA-N. Boiling Point: 256 °C @ 760 MM HG; Boiling Point: 255.00 to 256.00 °C. @ 760.00 mm Hg; Boiling Point: 256 °C.

Identification

CAS Registry Number	85-91-6
PubChem CID	6826
Molecular formula	C9H11NO2
Molecular weight	165.08 g/mol
IUPAC name	methyl 2-(methylamino)benzoate
InChIKey	GVOWHGSUZUUUDR-UHFFFAOYSA-N
UNII (FDA)	5Z37T562P9
ChEBI ID	CHEBI:142267
FEMA number	2718
JECFA number	1545

Computed Descriptors

Molecular Weight	165.19
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	165.078978594
Monoisotopic Mass	165.078978594
Topological Polar Surface Area	38.3
Heavy Atom Count	12
Formal Charge	0

Physical & Chemical Properties

Boiling Point	256 °C @ 760 MM HG
Boiling Point	255.00 to 256.00 °C. @ 760.00 mm Hg
Boiling Point	256 °C
Melting Point	18.5-19.5 °C
Melting Point	19 °C
Flash Point	91 °C
Solubility	475 mg/L @ 20 °C (exp)
Density	1.120 @ 15 °C
Density	1.124-1.132
LogP	2.97

Physical description & handling notes

• Colorless or pale yellow liquid with an odor of grapes; [Hawley] Pale-yellow liquid with a slightly blue fluorescence or solid; Odor like orange peels; mp = 18.5-19.5 deg C; [HSDB]
• Liquid
• Pale yellow liquid with bluish fluorescence; Grape-like aroma
• PALE-YELLOW LIQ WITH SLIGHT BLUISH FLUORESCENCE
• CRYSTALS FROM PETROLEUM ETHER
• ORANGE & MANDARIN-PEEL-LIKE ODOR

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral, Must JECFA ADI: 0-0.2 mg/kg bw
GHS notification summary	94% (1633 / 1738)

GHS Hazard Classification

GHS notification summary	94% (1633 / 1738)

Documented Uses

• Used in perfumes, flavorings, and drugs; [Hawley]
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Information on 20 consumer products that contain Methyl N-Methylanthranilate in the following categories is provided:
• SYNTHESIS: BY METHYLATION OF METHYL ANTHRANILATE OR ESTERIFICATION OF N-METHYLANTHRANILIC ACID. ASSAY: 98% MIN (99%).
• Methyl N-methylanthranilate; Benzoic acid, 2-(methylamino)-, methyl ester; Dimethyl anthranilate; 2-Methylamino methyl benzoate; N-Methylanthranilic acid, methyl ester; Methyl 2-(methylamino)benzoate; Methyl 2-methylaminobenzoate; Methyl o-methylaminobenzoate

Synonyms

Methyl 2-(methylamino)benzoate; 85-91-6; METHYL N-METHYLANTHRANILATE; Dimethyl anthranilate; Methyl methylaminobenzoate; Methyl methanthranilate; Methyl methylanthranilate; Benzoic acid, 2-(methylamino)-, methyl ester; 2-Methylaminomethyl benzoate; Methyl N-methyl anthranilate; N-Methylanthranilic acid, methyl ester; Methyl-N-methylanthranilate; Anthranilic acid, N-methyl-, methyl ester; FEMA No. 2718; Methyl 2-methylaminobenzoate; NSC-9406

Frequently Asked Questions

What are the CAS number and molecular formula of Methyl N-methylanthranilate(Dimethyl anthranilate)?

CAS 85-91-6; molecular formula C9H11NO2; molecular weight 165.08 g/mol.

What other names is Methyl N-methylanthranilate(Dimethyl anthranilate) known by?

Methyl 2-(methylamino)benzoate, 85-91-6, METHYL N-METHYLANTHRANILATE, Dimethyl anthranilate, Methyl methylaminobenzoate, Methyl methanthranilate.

What is the regulatory status of Methyl N-methylanthranilate(Dimethyl anthranilate)?

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

Is Methyl N-methylanthranilate(Dimethyl anthranilate) classified as hazardous?

94% of GHS notifications report no hazard classification (1633 of 1738).

What are the key physical properties of Methyl N-methylanthranilate(Dimethyl anthranilate)?

Boiling Point: 256 °C @ 760 MM HG; Boiling Point: 255.00 to 256.00 °C. @ 760.00 mm Hg; Boiling Point: 256 °C; Melting Point: 18.5-19.5 °C.

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.