메틸유겐올
메틸유제놀 · 메틸유겐올 · 메틸유게놀 · 메틸오이게놀 · EUGENOL METHYL ETHER · 4-ALLYL-1,2-DIMETHOXYBENZENE · jiaji · FEMA 2475
식별자 및 물리적 특성
| CAS No. | 93-15-2 |
|---|---|
| 분자식 | C11H14O2 |
| 평균 분자량 | 178.23 g/mol |
| 단동위원소 질량 | 178.09937969 g/mol |
| SMILES | C=CCc1ccc(OC)c(OC)c1 |
| InChIKey | ZYEMGPIYFIJGTP-UHFFFAOYSA-N |
| PubChem CID | 7127 |
| ChEMBL | CHEMBL108861 |
| ChEBI | CHEBI:4918 |
| EC No. | 202-223-0 |
| DTXSID | DTXSID5025607 |
| 현지명 | 메틸유겐올 |
화학 및 물리적 성질
| XLogP | 2.5 |
|---|---|
| 극성 표면적 | 18.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 156 |
| 물질 분류 | Other Classes -> Ethers, OtherCarcinogens |
| 화장품 | Cosmetics ingredient -> FlavorFragranceOther (Specify)SolventMasking |
| SpringerMaterials Properties | Optical coefficient |
| 향료 | Fragrance substance (Methyl eugenol) -> IFRA amendment 51Fragrance Ingredient (Eugenyl methyl ether) -> IFRA transparency List |
| LogP(분배 계수) | 3.45 |
| 냄새 | Mild-spicy, slightly herbal odorClove, carnation odor디프로필렌 글리콜 중 1.00%. 달콤한 신선하고 따뜻한 매운 정향 카네이션 계피 |
| 맛 | BITTER, BURNING TASTE |
| 식품 첨가물 | Use unspecified -> FDA Substance added to food |
| 밀도 | 1.0396 at 68 °F (NTP, 1992) - Denser than waterwill sink1.032-1.036 at 25 °C1.036 g/mL at 25 °C (lit.) |
| Color/Form | Crystals from hexaneColorless to pale yellow liquid |
| 용해도 | less than 1 mg/mL at 66 °F (NTP, 1992)Soluble in most organic solventsSoluble in ethanol, ethyl etherSoluble in fixed oilsinsoluble in glycerin and propylene glycolIn water, 500 mg/L at 25 °C0.5 mg/mL at 25 °C0.5g/L |
| 인화점 | 210 °F (NTP, 1992)99 °C99 °C (210 °F) (closed cup)>230 °F |
| 녹는점 | -4 °C (lit.) |
| 끓는 점 | 254-255 °C (lit.) |
| 증기압 | 0.463-1.983Pa at 25℃ |
| 굴절률 | n20/D 1.534(lit.) |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 기름 |
| 색상 | 무색~담황색 |
| 향취 유형 | 매운 |
| 생물학적 소스 | synthetic |
| 용해도 | 불용성 |
| Merck | 14,6073 |
| BRN | 1910871 |
| 헨리 상수 | 1.8×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| 안정성 | 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다. |
| 주요 응용 | 향료 및 향 |
| 화장품 원료 기능 | 향기향수 |
| InChI | 1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3 |
| InChIKey | ZYEMGPIYFIJGTP-UHFFFAOYSA-N |
| SMILES | COc1ccc(CC=C)cc1OC |
| LogP(분배 계수) | 2.74-3.03 |
| NIST | Benzene, 1,2-dimethoxy-4-(2-propenyl)-(93-15-2) |
| EPA | Methyleugenol (93-15-2) |
화학적 성질
colourless to light yellow liquid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 6.1% (110 of 1814) of reports.WarningH302 (93.9%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P270, P272, P280, P301+P317, P302+P352, P318, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1814 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Danger |
|---|---|
| 규제 정보 | Chemical: Benzene, 1,2-dimethoxy-4-(2-propenyl)-Hazard Traits - CarcinogenicityRegulation (EC) No 1831/2003 (amended)Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 10-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23881Methyl eugenol: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Benzene, 1,2-dimethoxy-4-(2-propenyl)-: Human health tier II assessment |
| 운송 라벨(DOT) | Poison |
| 화재 위험 | This chemical is combustible. (NTP, 1992) |
| 건강 유해성 | SYMPTOMS: Symptoms of exposure to this compound include nausea, vomiting, diarrhea, circulatory collapse, dizziness, rapid and shallow breathing, unconsciousness, convulsions, abdominal burning, dysuria, hematuria, tachycardia, bronchial irritation, anuria, pulmonary edema, bronchial pneumonia and renal damage. |
| 유해성 요약 | A skin and eye irritant[CAMEO] Causes sleep in mice after 200 mg/kg intraperitoneal injectionCauses evidence of liver injury in mice after high-dose feeding studies[HSDB] An irritant[MSDSonline] |
| FDA 요건 | Methyleugenol is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: a) they are used in the minimum quantity required to produce their intended effect, and otherwise in accordance with all the principles of good manufacturing practice, and 2) they consist of one or more of the following, used alone or in combination with flavoring substances and adjuvants generally recognized as safe in food, prior-sanctioned for such use, or regulated by an appropriate section in this part. |
용도
출처
Reported in the essential oils of Myrtaceae and Luraceae; it was identifed originally in the essential oil from roots of Asarum europaeum L and Asarum canadense L Subsequently, it was identifed as the main constituent of the oil from wood of Dacrydium franklinii Hook (97 5%), in Melaleuca bracteata F v M (leaves, 90 to 95%), in Cinnamomum oliveri Bail (leaves, 90 to 95%), and as a minor constituent in the oils of betel, citronella, Japanese calamus, pimenta, hyacinth, rose, basil, bay, cajeput and others Reported found in heated blackberry, pepper, lovage seed, chervil, lemon balm, alpinia species, clove buds, nutmeg, pepper, mace, tarragon, Ocimum sanctum, laurel, myrtle leaf and berry, rosemary, pimento berry and mastic gum leaf oil
용도
Methyl eugenol may be used as an analytical reference standard for the quantification of the analyte in the following: Essential oil of Pimenta pseudocaryophyllus using high-performance liquid chromatography (HPLC). The purity of the extracted compound is then determined by gas chromatography coupled to flame ionization detector (GC/FID). Stem bark of Cinnamomum zeylanicum Blume using reversed-phase high-performance liquid chromatography (RP-HPLC) with UV-visible detection. Rosa hybrida using gas-chromatography coupled to mass spectrometry (GC-MS) technique.
일반 설명
Clear colorless to pale yellow liquid with a spicy earthy odor. Bitter burning taste.
제조 및 합성 방법
제조 방법
Usually prepared by methylation of eugenol.