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Methyl N-methylanthranilate

Methyl N-methylanthranilate structure

CAS No:
85-91-6
Formula:
C9H11NO2
Chemical Name:
Methyl N-methylanthranilate
Synonyms:
Benzoic acid,2-(methylamino)-,methyl ester;Anthranilic acid,N-methyl-,methyl ester;Methyl methylanthranilate;Methyl methanthranilate;Methyl N-methylanthranilate;N-Methylanthranilic acid methyl ester;Methyl o-(methylamino)benzoate;Methyl 2-(methylamino)benzoate;2-(Methylamino)benzoic acid methyl ester;NSC 9406
Categories:
Cosmetic Ingredient > Fragrance Ingredient

Description

Methyl-n-methylanthranilate has an orange and mandarin peel-like odor and a musty, grape-like flavor; somewhat more berry-like than grape. Methyl N-Methylanthranilate is the main component of petitgrain oils from mandarin leaves and is also found in mandarin oil. It is a pale yellow, fluorescent liquid with a delicate mandarin odor. The ester can be prepared by methylation ofmethyl anthranilate. It is used in soap and cosmetic perfumes as well as in aromas, particularly for mandarin flavors.

Liquid|Pale yellow liquid with bluish fluorescence; Grape-like aroma

Methyl N-methylanthranilate is a methyl ester resulting from the formal condensation of the carboxy group of N-methylanthranilic acid with methanol. It has a role as a fungal metabolite, a plant metabolite and an animal metabolite. It is a benzoate ester, a methyl ester, a secondary amino compound and a substituted aniline. It derives from a N-methylanthranilic acid.

Methyl N-methylanthranilate Basic Attributes

Molecular Weight：

165.19

Exact Mass：

165.19

BRN：

607217

EC Number：

201-642-6

UNII：

5Z37T562P9

NSC Number：

9406

DSSTox ID：

DTXSID1052581

Color/Form：

PALE-YELLOW LIQ WITH SLIGHT BLUISH FLUORESCENCE|CRYSTALS FROM PETROLEUM ETHER

HScode：

2922499990

Characteristics

PSA：

38.3

XLogP3：

2.3

Appearance：

Liquid

Density：

1.120 g/cm³ @ Temp: 15 °C

Melting Point：

18.5-19.5 °C

Boiling Point：

256 °C @ Press: 760 Torr

Flash Point：

>230 °F

Refractive Index：

1.562

Water Solubility：

Miscible in all proportions with ethanol 96%, DMSO and diethyl ether.

Storage Conditions：

Store below +30°C.

Odor：

ORANGE & MANDARIN-PEEL-LIKE ODOR

Taste：

MUSTY, GRAPE-LIKE FLAVOR, SOMEWHAT MORE BERRY-LIKE THAN GRAPE

Experimental Properties：

CONGEALING POINT: GREATER THAN 12.0 °C (12.5-15.5 °C)|ACID VALUE: 0.2 MAX

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-36/37/39-22

RTECS Number：

CB3500000

Marks：

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H315-H319

GHS Classification：

Not Classified

Drug Information

MeSH Entry Terms：

methyl N-methylanthranilate

Methyl N-methylanthranilate Use and Manufacturing

Methods of Manufacturing

Derived from methyl anthranilate. It is formed by esterification of N-methylanthranilic acid and methanol.

Uses

Used in organic synthesis.

Manufacturing Info：

Benzoic acid, 2-(methylamino)-, methyl ester: ACTIVE|REPORTED USES: NON-ALCOHOLIC BEVERAGES 5.1 PPM; ICE CREAM, ICES, ETC 5.0 PPM; CANDY 18 PPM; BAKED GOODS 17 PPM; JELLIES 4.0 PPM.|REPORTED FOUND IN MANDARIN ESSENTIAL OIL & MANDARIN-LEAVES ESSENTIAL OIL (50-76.5%); ALSO REPORTED IN OIL FROM BULBS OF KAEMPFERIA ETHELAE L; IN ORANGE PETITGRAIN, & IN OIL FROM HYACINTH FLOWERS.

Use Classification：

Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

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
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Formaldehyde

Acetic acid

Methanol

Hydrogen peroxide

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CAS No.: 85-91-6

Grade: Food Grade

Content: 99%

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Distributor Supplier of (R)-3-hydroxypyrrolidine hydrochloride,(R)-Glycidyl butyrate,fine chemicals,2-dibromo-4,5-difluorobenzene,(S)-(+)-Mandelic acid,3-Bromo-1-propanol,1,1-Bis(hydroxymethyl)cyclopropane,1-Chloroethyl chloroformate,1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride,Diethyl azodicarboxylate,Potassium tert-butoxide,Benzydamine hydrochloride,2-Methylpiperazine,Diisopropyl azodicarboxylate,N-Methylbenzylamine,Hexamethylphosphoramide

Methyl 2- (methylamino)benzoate

CAS No.: 85-91-6

Grade: Medical Grade

Content: 99%

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Guide of Methyl N-methylanthranilate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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Methyl N-methylanthranilate

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