| Identification | More | [Name]
Methyl 2-(methylamino)benzoate | [CAS]
85-91-6 | [Synonyms]
2-METHYLAMINOBENZOIC ACID METHYL ESTER
DIMETHYL ANTHRANILATE
FEMA 2718
METHYL 2-METHYLAMINOBENZOATE
METHYL 2-(N-METHYLAMINO)BENZOATE
METHYL METHYLANTHRANILATE
METHYL N-METHYLANTHRANILATE
METHYL O-(METHYLAMINO)BENZOATE
N-METHYL-2-AMINOBENZOIC ACID METHYL ESTER
N-METHYLANTHRANILIC ACID METHYL ESTER
2-(methylamino)-benzoicacimethylester
2-Methylaminomethyl benzoate
2-Methylaminomethylbenzoate
Anthranilic acid, N-methyl-, methyl ester
Benzoic acid, 2-(methylamino)-, methyl ester
Benzoicacid,2-(methylamino)-,methylester
Me N-methylanthranilate
Methyl benzoate, 2-methylamino
Methyl methanthranilate
Methyl methylaminobenzoate | [EINECS(EC#)]
201-642-6 | [Molecular Formula]
C9H11NO2 | [MDL Number]
MFCD00017183 | [Molecular Weight]
165.19 | [MOL File]
85-91-6.mol |
| Chemical Properties | Back Directory | [Melting point ]
17-19 °C(lit.)
| [Boiling point ]
256 °C(lit.)
| [density ]
1.126 g/mL at 25 °C(lit.)
| [vapor pressure ]
2.74Pa at 25℃ | [FEMA ]
2718 | [refractive index ]
n20/D 1.579(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
2-8°C | [solubility ]
Miscible in all proportions with ethanol 96%, DMSO and diethyl ether. | [form ]
neat | [pka]
2.80±0.10(Predicted) | [color ]
Colourless to Yellow | [Odor]
at 100.00 %. fruity musty sweet neroli powdery phenolic wine | [PH]
7-8 (H2O, 20℃) | [biological source]
synthetic | [Odor Type]
floral | [Water Solubility ]
329.792mg/L at 30℃ | [JECFA Number]
1545 | [BRN ]
607217 | [Cosmetics Ingredients Functions]
FRAGRANCE | [InChI]
1S/C9H11NO2/c1-10-8-6-4-3-5-7(8)9(11)12-2/h3-6,10H,1-2H3 | [InChIKey]
GVOWHGSUZUUUDR-UHFFFAOYSA-N | [SMILES]
CNc1ccccc1C(=O)OC | [LogP]
2.81-3.08 at 25℃ | [CAS DataBase Reference]
85-91-6(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzoic acid,o-(methylamino)-, methyl ester(85-91-6) | [EPA Substance Registry System]
85-91-6(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H319 | [Precautionary statements ]
P264-P280-P305+P351+P338-P337+P313 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S22:Do not breathe dust . | [WGK Germany ]
1
| [RTECS ]
CB3500000
| [TSCA ]
Yes | [REACH Registrations]
Active | [HS Code ]
2922498590 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2 | [Safety Profile]
Poison by intravenous
route. Moderately toxic by ingestion.
Combustible liquid. When heated to
decomposition it emits toxic fumes of NOx.
See also ESTERS. | [Hazardous Substances Data]
85-91-6(Hazardous Substances Data) |
| Hazard Information | Back Directory | [Description]
Methyl n-methylanthranilate has an orange and mandarin peel-like
odor with a musty, grape-like flavor. It is somewhat more berry-like than grape. May be prepared by methylation of methyl anthranilate or esterification of N-methylanthranilic acid. | [Chemical Properties]
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. | [Chemical Properties]
Methyl-n-methylanthranilate has an orange and mandarin peel-like odor and a musty, grape-like flavor; somewhat
more berry-like than grape. | [Occurrence]
Reported found in mandarin essential oil and mandarin leaves essential oil (50 to 76.5%); also reported in the
oil from bulbs of Kaempferia ethelae L., in orange petitgrain, and in the oil from hyacinth flowers. Also reported found in starfruit,
orange peel oil and grapefruit juice. | [Uses]
It is
used as a flavorant in a wide range of foods (particularly flour
and sugar confections). | [Definition]
ChEBI: 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 is functionally related to a N-methylanthranilic acid. | [Preparation]
By methylation of methyl anthranilate or esterification of N-methylanthranillic acid. | [Production Methods]
Methyl N-methanthranilate is a component of mandarin and
mandarin tree leaf essential oil. It is also found in oil from
bulbs of Kaempferia ethelae L., hyacinth flowers, and orange
petitgrain . It is synthesized by methylation of methyl
anthranilate or esterification ofN-methylanthranilic acid. | [Taste threshold values]
Taste characteristics at 10 ppm: fruity grape skin, anthranilate-like with a woody and floral nuance | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 49, p. 3373, 1984 DOI: 10.1021/jo00192a024 | [Toxicity evaluation]
The acute oral LD50 value in rats was reported as 3.7 ml/kg (Levenstein, 1974). The acute oral LD50 in female rats was reported to be between 2.25 g/kg (no deaths) and 3.38 g/kg (100% deaths) (Gaunt, Sharratt, Grasso & Wright, 1970). The acute dermal LD50 value in rabbits was reported as > 5 g/kg (Levenstein, 1974). The LC 50 for larvae of Tribolium destructor was found to be 0-1151 mg/cm3 (Vasechko, Kuznetsov, Smelyanets & Guznenok, 1970). | [storage]
Store at -20°C |
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Alfa Aesar
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Energy Chemical
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RYSS TECH LTD
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