Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1,4-디메톡시벤젠
1,4-디메톡시벤젠 · 하이드로퀴논다이메틸에테르 · 하이드로퀴논 다이메틸에테르 · dimethoxybenzene · DIMETHYLHYDROQUINONE · P-DIMETHOXYBENZENE · FEMA 2386 · 4-Methoxyanisole
식별자 및 물리적 특성
| CAS No. | 150-78-7 |
|---|---|
| 분자식 | C8H10O2 |
| 평균 분자량 | 138.16 g/mol |
| 단동위원소 질량 | 138.06807956 g/mol |
| SMILES | COc1ccc(OC)cc1 |
| InChIKey | OHBQPCCCRFSCAX-UHFFFAOYSA-N |
| PubChem CID | 9016 |
| ChEMBL | CHEMBL1668604 |
| ChEBI | CHEBI:179261 |
| EC No. | 205-771-9 |
| DTXSID | DTXSID0022014 |
| 현지명 | 1,4-디메톡시벤젠 |
화학 및 물리적 성질
| XLogP | 2 |
|---|---|
| 극성 표면적 | 18.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 73.3 |
| 물질 분류 | Other Classes -> Ethers, Other |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| 향료 | Fragrance Ingredient (p-Dimethoxybenzene) -> IFRA transparency List |
| LogP(분배 계수) | log Kow = 2.032.04 |
| 냄새 | SWEET CLOVER ODORSWEET, NUT-LIKE AROMA디프로필렌 글리콜 중 1.00%. 달콤한 녹색 새 잔디 건초 회향 |
| 맛 | OILY, PHENOLIC TASTE |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 1.053 at 131 °F (NTP, 1992) - Denser than waterwill sink1.0526 @ 55 °C/55 °C1.053 g/mL at 25 °C(lit.) |
| 향미제 | EU Flavoring substances |
| Viscosity | 1.04 CENTIPOISE @ 65 °C |
| Color/Form | LEAFLETS FROM WATERWHITE FLAKES |
| 용해도 | Slightly soluble (NTP, 1992)SLIGHTLY SOL IN WATERVERY SOL IN ETHER, BENZENE1:10 IN 95% ALCOHOLSOL IN ACETONESolubility in water: noneSlightly soluble in water디옥산: 0.1 g/mL, 투명 |
| 녹는점 | 54-56 °C(lit.) |
| 끓는 점 | 213 °C(lit.) |
| 증기 밀도 | 4.8 (vs air) |
| 증기압 | <1 mm Hg ( 20 °C) |
| 굴절률 | 1.5231 (estimate) |
| FEMA | 2386 | P-DIMETHOXYBENZENE |
| 인화점 | 98 °C |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | 결정질 분말, 결정 또는 플레이크 |
| 색상 | 하얀색 |
| 비중 | 1.053 |
| pH | 7 (H2O, 20℃)(saturated solution) |
| 폭발한계 | 1.2-5.6%(V) |
| 향취 유형 | 녹색 |
| 생물학적 소스 | synthetic |
| 용해도 | 0.8g/L(20℃) |
| JECFA Number | 1250 |
| BRN | 774605 |
| 헨리 상수 | 2.8×10-3 mol/(m3Pa) at 25℃, HSDB (2015) |
| 유전율 | 4.5(23℃) |
| 안정성 | 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다. |
| 주요 응용 | 청소용품화장품음식 및 음료개인 위생 관리 |
| 화장품 원료 기능 | 향수 |
| InChI | 1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3 |
| InChIKey | OHBQPCCCRFSCAX-UHFFFAOYSA-N |
| SMILES | COc1ccc(OC)cc1 |
| LogP(분배 계수) | 2.08 at 20℃ |
| NIST | Benzene, 1,4-dimethoxy-(150-78-7) |
| EPA | p-Dimethoxybenzene (150-78-7) |
화학적 성질
white crystals or powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 97.5% (1792 of 1838) of all reports.Not ClassifiedAggregated GHS information provided per 1838 reports by companies from 7 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: Benzene, 1,4-dimethoxy-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 12-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/2003Benzene, 1,4-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard |
| 화재 위험 | Combustible. Finely dispersed particles form explosive mixtures in air. |
| 유해성 요약 | Moderate skin irritantActs as general anesthetic in lethal-dose feeding studies of rats[RTECS] Safe as a flavoring agent in food[JECFA] Emergency treatment: see Hydroquinone and Quinone. [HSDB] No listed effects of short-term or long-term exposureInsufficient data are available on the effect of this substance on human health, therefore utmost care must be taken. [ICSC] An irritant[MSDSonline] |
| 반응성 그룹 | Ethers |
| Special Reports | OPDYKE DL JFOOD COSMET TOXICOL 16 (1): 715 (1978). REVIEW WITH 18 REFERENCES ON DIMETHYLHYDROQUINONE INCLUDING TOXICITY, IRRITATION, SENSITIZATION, DEPIGMENTATION, METAB & PHARMACOLOGY. |
| Reactivity Profile | 1,4-DIMETHOXYBENZENE is an ether. Ethers may react violently with strong oxidizing agents. In other reactions, which typically involve the breaking of the carbon-oxygen bond, ethers are relatively inert. |
| Chemical Dangers | Reacts with strong oxidants. |
| Physical Dangers | Dust explosion possible if in powder or granular form, mixed with air. |
| Air and Water Reactions | Slightly water soluble (NTP, 1992). |
| Hazard Classes and Categories | Not Classified |
용도
출처
Reported found in hyacinth (Hyacinthus orientalis L.) essential oil, Rhodophyllus icterius, papaya, peppermint oil, green tea, cherimoya and cooked shrimp
용도
1,4-Dimethoxybenzene is used as Pharmaceutical Intermediate. It is used in some paints and as a diazo dye. It is also used in perfumes and flavors in order to its floral odor. In addition, it is used on greasy skin, and with sulfur to treat acne, or as a dandruff treatment.
일반 설명
Colorless crystals.
제조 및 합성 방법
제조 방법
By methylation of hydroquinone using dimethyl sulfate and alkali.