초산오이게놀
아세틸유제놀 · 아세틸오이게놀 · 초산오이게놀 · 유제닐아세테이트 · 아세틸 유제놀 · 유지놀아세테이트 · EUGENYL ACETATE · ACETYL EUGENOL
식별자 및 물리적 특성
| CAS No. | 93-28-7 |
|---|---|
| 분자식 | C12H14O3 |
| 평균 분자량 | 206.24 g/mol |
| 단동위원소 질량 | 206.0942943 g/mol |
| SMILES | C=CCc1ccc(OC(C)=O)c(OC)c1 |
| InChIKey | SCCDQYPEOIRVGX-UHFFFAOYSA-N |
| PubChem CID | 7136 |
| ChEMBL | CHEMBL108299 |
| ChEBI | CHEBI:34522 |
| EC No. | 202-235-6 |
| DTXSID | DTXSID5052624 |
| 현지명 | 초산오이게놀 |
화학 및 물리적 성질
| XLogP | 2.3 |
|---|---|
| 극성 표면적 | 35.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 15 |
| 형식 전하 | 0 |
| 복잡도 | 225 |
| 화장품 | Cosmetics ingredient -> Conditioning/EmollientFlavorFragrance |
| SpringerMaterials Properties | Boiling point |
| 향료 | Fragrance Ingredient (Eugenyl acetate) -> IFRA transparency List |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 1.077-1.082 (supercooled liquid)1.079 g/mL at 25 °C(lit.) |
| 향미제 | EU Flavoring substances |
| 용해도 | Insoluble in waterSoluble in ether, fixed oilsSoluble (in ethanol)클로로포름(소량으로 용해), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨) |
| 끓는 점 | 282 °C281-286 °C(lit.) |
| 녹는점 | 30 - 31 °C26°C |
| 굴절률 | 1.514-1.522 (supercooled liquid)n20/D 1.518(lit.) |
| Physical Description | SolidFused solid, melts at warm room temperature to a pale yellow liquidMild clove aroma |
| 증기압 | 0.041Pa at 20℃ |
| FEMA | 2469 | EUGENYL ACETATE |
| 인화점 | 230 °F |
| 저장 조건 | under inert gas (nitrogen or Argon) at 2-8°C |
| 물리적 상태 | 무색~연황색 오일~반고체 |
| 색상 | White or Colorless to Light yellow |
| 냄새 | 100.00%에서. 신선한 달콤한 우디 정향 꽃무늬 카네이션 맥아 향신료 |
| 향취 유형 | 매운 |
| 생물학적 소스 | synthetic |
| 용해도 | 407mg/L at 20℃ |
| JECFA Number | 1531 |
| 안정성 | 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다. |
| 주요 응용 | 청소용품화장품향료 및 향음식 및 음료개인 위생 관리 |
| 화장품 원료 기능 | 향기 |
| InChI | 1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4,6-8H,1,5H2,2-3H3 |
| InChIKey | SCCDQYPEOIRVGX-UHFFFAOYSA-N |
| SMILES | COc1cc(CC=C)ccc1OC(C)=O |
| LogP(분배 계수) | 2.8 at 25℃ |
| NIST | Phenol, 2-methoxy-4-(2-propenyl)-, acetate(93-28-7) |
| EPA | Phenol, 2-methoxy-4-(2-propenyl)-, acetate (93-28-7) |
화학적 성질
Eugenol Acetate occurs in clove oil, together with eugenol. It is a crystalline solid (mp 29°C) or yellowish liquid with a slightly fruity, clove odor. Eugenol acetate is prepared by acetylation of eugenol with acetic anhydride and is used in floral compositions to accentuate floral, spicy characters.
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1671 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: Phenol, 2-methoxy-4-(2-propenyl)-, acetateHazard Traits - Fragrance AllergenCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)REACH registered substance: 4-allyl-2-methoxyphenyl acetate (EC: 202-235-6)Phenol, 2-methoxy-4-(2-propenyl)-, acetate: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | SJ4550000 |
| 독성 | The acute oral LD50 value in rats was reported as 1.67 g/kg (Jenner, Hagan, Taylor, Cook & Fitzhugh, 1964) and as 2.6 g/kg (2.3-2.9 g/kg) (Moreno, 1972b). The acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1972a). |
| 관세 코드 | 29147000 |
| 위험 문구(R) | 22-38 |
| 위험 표시 | Xn |
| 안전 문구(S) | 36 |
| 위험 등급 | Acute Tox. 4 OralSkin Sens. 1B |
| 저장 분류 | 10 - Combustible liquids |
용도
출처
Reported found in the essential oils of Laurus nobilis, clove buds and leaves, cassia leaf and cinnamon leaf, root and bark
용도
Eugenol Acetate is a constituent of Clove oil, an essential oil from the clove plant, Syzygium aromaticum. Clove oil is a natural analgaesic and antiseptic used primarily in dentistry for its main ingredient Eugenol. Clove oil can also be purchased in pharmacies over the counter, as a home remedy for dental pain relief, mainly toothache; it is also often found in the aromatherapy section of health food stores.
제조 및 합성 방법
제조 방법
By direct acetylation of eugenol using acetic anhydride.