메틸 N-메틸안트라닐레이트
N-메틸엔트라닐산메틸 · 메틸N-메틸안트라닐레이트 · 메틸 N-메틸안트라닐레이트 · DIMETHYL ANTHRANILATE · METHYL N-METHYLANTHRANILATE · Benzoic acid, 2-(methylamino)-, methyl ester · Methyl methanthranilate · METHYL METHYLANTHRANILATE
식별자 및 물리적 특성
| CAS No. | 85-91-6 |
|---|---|
| 분자식 | C9H11NO2 |
| 평균 분자량 | 165.19 g/mol |
| 단동위원소 질량 | 165.07897859 g/mol |
| SMILES | CNc1ccccc1C(=O)OC |
| InChIKey | GVOWHGSUZUUUDR-UHFFFAOYSA-N |
| PubChem CID | 6826 |
| ChEMBL | CHEMBL1409791 |
| ChEBI | CHEBI:142267 |
| EC No. | 201-642-6 |
| DTXSID | DTXSID1052581 |
| 현지명 | 메틸 N-메틸안트라닐레이트 |
화학 및 물리적 성질
| XLogP | 2.3 |
|---|---|
| 극성 표면적 | 38.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 159 |
| 녹는점 | 17-19 °C(lit.) |
| 끓는 점 | 256 °C(lit.) |
| 밀도 | 1.126 g/mL at 25 °C(lit.) |
| 증기압 | 2.74Pa at 25℃ |
| FEMA | 2718 | METHYL N-METHYLANTHRANILATE |
| 굴절률 | n20/D 1.579(lit.) |
| 인화점 | >230 °F |
| 저장 조건 | 2-8°C |
| 용해도 | 에탄올 96%, DMSO 및 디에틸 에테르와 모든 비율로 혼합 가능합니다. |
| pKa(산도 계수) | 2.80±0.10(Predicted) |
| 물리적 상태 | 19°C Liquid |
| 색상 | 무색~황색 |
| pH | 7-8 (H2O, 20℃) |
| 냄새 | 100.00%에서. 과일 향이 나는 곰팡내 나는 달콤한 네롤리 파우더리 페놀 와인 |
| 향취 유형 | 꽃향기 |
| 생물학적 소스 | synthetic |
| 용해도 | 329.792mg/L at 30℃ |
| JECFA Number | 1545 |
| BRN | 607217 |
| 화장품 원료 기능 | 향기 |
| 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(분배 계수) | 2.81-3.08 at 25℃ |
| NIST | Benzoic acid,o-(methylamino)-, methyl ester(85-91-6) |
| EPA | Methyl N-methyl anthranilate (85-91-6) |
화학적 성질
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.
안전 및 규제
| 수질 위해 등급(WGK) | 1 |
|---|---|
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | CB3500000 |
| 관세 코드 | 2922498590 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36-36/37/39-22 |
| 기존화학 물질 | KE-24372 |
| 위험 등급 | Eye Irrit. 2 |
| 저장 분류 | 10 - Combustible liquids |
| 유해 물질 데이터 | 85-91-6(Hazardous Substances Data) |
용도
개요
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.
출처
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.
용도
Methyl 2-(Methylamino)benzoate is one of many volatile components from mango cultivars.
제조 및 합성 방법
생산 방법
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.
제조 방법
By methylation of methyl anthranilate or esterification of N-methylanthranillic acid.