기본 정보
- CAS
93-28-7- 표준 SMILES
C=CCc1ccc(OC(C)=O)c(OC)c1- InChIKey
SCCDQYPEOIRVGX-UHFFFAOYSA-N- 분자식
- C12H14O3
- 평균 분자량
- 206.24 g/mol
- 단동위원소 질량
- 206.0942943
개요
Acetyleugenol is a member of phenols and a benzoate ester.
이름 및 식별자
- 우선 이름
- Eugenyl Acetate
- IUPAC
- (2-methoxy-4-prop-2-enylphenyl) acetate
- 현지명
- 초산오이게놀
- 영어명
- EUGENOL ACETATE
- 분자식
- C12H14O3
- 분자량
- 206.24
이름 및 동의어
Eugenol acetateEUGENYL ACETATE93-28-7AcetyleugenolAcetyl eugenolPhenol, 2-methoxy-4-(2-propenyl)-, acetatePhenol, 4-allyl-2-methoxy-, acetateFEMA No. 2469V9OSB376X8NSC-1242RefChem:36360202-235-6
이름 더 보기
아세틸유제놀아세틸오이게놀초산오이게놀유제닐아세테이트아세틸 유제놀유지놀아세테이트FEMA 24691-Acetoxy-2-methoxy-4-allylbenzene 1,3,4-Eugenol acetateeugenylACETOEUGENOLO-Acetyleugenol
4-Allyl-2-methoxyphenyl acetateAceteugenol4-Allyl-2-methoxyphenol acetateAceto eugenol1,3,4-Eugenol acetate1-Acetoxy-2-methoxy-4-allylbenzene2-Methoxy-4-(2-propenyl)phenyl acetateEINECS 202-235-6
데이터베이스 식별자
- CAS
93-28-7- PubChem CID
- 7136
- DTXSID
DTXSID5052624- ChEMBL
CHEMBL108299- ChEBI
CHEBI:34522- UNII
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 35.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 225
실험 및 물리화학적 성질
CosmeticsCosmetics ingredient -> Conditioning/Emollient; Flavor; Fragrance
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Eugenyl acetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.077-1.082 (supercooled liquid)
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; Soluble in ether, fixed oils
Soluble (in ethanol)
Boiling Point282 °C
Melting Point30 - 31 °C
Refractive Index1.514-1.522 (supercooled liquid)
Physical Description
Solid
Fused solid, melts at warm room temperature to a pale yellow liquid; Mild clove aroma
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (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.
유해성 정보
Regulatory Information
Chemical: Phenol, 2-methoxy-4-(2-propenyl)-, acetate
Hazard Traits - Fragrance Allergen
Commission Regulation (EC) No 1565/2000 (Repealed by Com.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 CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- 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).
- HS 번호
- 29147000
- risk_code
- 22-38
- hazard_code
- Xn
- safety_code
- 36
- Hazard Classifications
- Acute Tox. 4 OralSkin Sens. 1B
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Household ProductsCosmetics product ingredient: Phenol, 2-methoxy-4-(2-propenyl)-, acetate (Eugenyl Acetate)
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationPhenol, 2-methoxy-4-(2-propen-1-yl)-, 1-acetate: ACTIVE
응용 분야
출처Reported found in the essential oils of Laurus nobilis, clove buds and leaves, cassia leaf and cinnamon leaf, root and bark
용도Eugenol 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 방법
By direct acetylation of eugenol using acetic anhydride.
상·하류 제품 정보
상류 원료
관련 반응
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