디메톡시톨루엔
디메톡시톨루엔 · 3,5-다이메톡시톨루엔 · 1,3-Dimethoxy-5-methylbenzene · ORCINOL DIMETHYL ETHER · SKL305 · 3,5-DIMETHOXYTOLUENE · Toluene, 3,5-dimethoxy- · 3,5-Dimethoxytoluene,99%
식별자 및 물리적 특성
| CAS No. | 4179-19-5 |
|---|---|
| 분자식 | C9H12O2 |
| 평균 분자량 | 152.19 g/mol |
| 단동위원소 질량 | 152.08372962 g/mol |
| SMILES | COc1cc(C)cc(OC)c1 |
| InChIKey | RIZBLVRXRWHLFA-UHFFFAOYSA-N |
| PubChem CID | 77844 |
| ChEBI | CHEBI:141217 |
| EC No. | 224-048-9 |
| DTXSID | DTXSID8063339 |
| 현지명 | 디메톡시톨루엔 |
화학 및 물리적 성질
| XLogP | 2.2 |
|---|---|
| 극성 표면적 | 18.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 102 |
| SpringerMaterials Properties | Boiling point |
| 향료 | Fragrance Ingredient (3,5-Dimethoxytoluene) -> IFRA transparency List |
| 녹는점 | 61-62 C |
| 끓는 점 | 244 °C (lit.) |
| 밀도 | 1.039 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.522(lit.) |
| 인화점 | 215 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 클로로포름(소량으로 용해), 메탄올(소량으로 용해) |
| 물리적 상태 | 액체 |
| 비중 | 1.039 |
| 색상 | 무색~황색으로 투명함 |
| 냄새 | Warm and sweet, nut-like, earthy-mossy odor |
| BRN | 2043558 |
| 화장품 원료 기능 | 향수 |
| InChI | 1S/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H3 |
| InChIKey | RIZBLVRXRWHLFA-UHFFFAOYSA-N |
| SMILES | COc1cc(C)cc(OC)c1 |
| LogP(분배 계수) | 2.897 (est) |
| NIST | 3,5-Dimethoxytoluene(4179-19-5) |
| EPA | 3,5-Dimethoxytoluene (4179-19-5) |
화학적 성질
Clear colorless to yellow liquid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 0.2% (3 of 1420) of reports.WarningH315 (99.8%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1420 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Benzene, 1,3-dimethoxy-5-methyl-Benzene, 1,3-dimethoxy-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Benzene, 1,3-dimethoxy-5-methyl-: Environment tier I assessment |
| Hazard Classes and Categories | Skin Irrit. 2 (99.8%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29093090 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
3,5-Dimethoxytoluene (DMT) may be used in the synthesis of 3,5-dimethoxybenzoic acid by oxidation and 2-methoxy-6-methyl-1,4-benzoquinone by catalytic oxidation with hydrogen peroxide (H2O2)/methyltrioxorhenium (CH3ReO3) in dimethyl carbonate (DMC).
용도
3,5-Dimethoxytoluene has been suggested for use in perfume compositions as supporting note for Oakmoss and Vetiver, and as a novel note in Chypre, Fougere and Oriental fragrance types.
일반 설명
3,5-Dimethoxytoluene (DMT) is a methoxylated phenolic derivative. It is reported to be one of the main constituent of the floral volatiles in different rose varieties. It has been biosynthesized from orcinol by two successive methylation catalyzed by O-methyltransferases (OMTs). The features of its aerobic oxidation with metal/bromide catalysts have been investigated.
제조 및 합성 방법
생산 방법
3,5-Dimethoxytoluene can be produced from Orcinol in weak aqueous alkali with Dimethylsulfate at controlled temperature.