메톡시-4-에틸페놀
4-Ethylguaiacol
기본 정보
- CAS
2785-89-9- 표준 SMILES
CCc1ccc(O)c(OC)c1- InChIKey
CHWNEIVBYREQRF-UHFFFAOYSA-N- 분자식
- C9H12O2
- 평균 분자량
- 152.19 g/mol
- 단동위원소 질량
- 152.08372962
개요
4-Ethyl-2-methoxyphenol is a member of phenols and a member of methoxybenzenes.
이름 및 식별자
- 우선 이름
- 4-Ethylguaiacol
- IUPAC
- 4-ethyl-2-methoxyphenol
- 현지명
- 메톡시-4-에틸페놀
- 영어명
- 4-Ethyl-2-methoxyphenol
- 분자식
- C9H12O2
- 분자량
- 152.19
이름 및 동의어
4-Ethyl-2-methoxyphenol2785-89-94-Ethylguaiacol2-Methoxy-4-ethylphenolp-EthylguaiacolPHENOL, 4-ETHYL-2-METHOXY-Guaiacol, 4-ethyl-4-Hydroxy-3-methoxyethylbenzeneDTXSID0047038FEMA No. 2436C9NFD83BJ5NSC-82313
이름 더 보기
4-에틸과이아콜메톡시-4-에틸페놀ETHYL GUAIACOLHOMOVANILLINFEMA 24364-Ethylquaiacol4-Ethyl-2-methoxyphenol (4-ethylguaiacol)Guaiacylethane
DTXCID8027038RefChem:522862220-500-4Guaiacyl ethaneHomocresol4-ethyl-2-methoxy-phenol4-Ethyl guiacol4-ethyl guaiacol
데이터베이스 식별자
- CAS
2785-89-9、29760-89-2- PubChem CID
- 62465
- DTXSID
DTXSID0047038- ChEMBL
CHEMBL3186900- ChEBI
CHEBI:179252- UNII
- C9NFD83BJ5
- EC Number
- 220-500-4
- Nikkaji
- J141.497F
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 29.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 114
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (4-Ethylguaiacol) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.056-1.066
Flavoring AgentsEU Flavoring substances
Solubility
slightly soluble in water; miscible in oils
miscible (in ethanol)
Boiling Point
235.00 to 236.00 °C. @ 760.00 mm Hg
229-235 °C
Melting Point-7 °C
Refractive Index1.524-1.534
Physical Description
Liquid
Colourless, oily liquid, warm, sweet, spicy, medicinal odour
물리화학적 성질
- 녹는점
- 15 °C · 15 °C(lit.)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1595) of reports.
Warning
H302 (93.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1595 reports by companies from 21 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Phenol, 4-ethyl-2-methoxy-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Phenol, 4-ethyl-2-methoxy-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Phenol, 4-ethyl-2-methoxy-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (93.1%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- 2810
- HS 번호
- 29071990
- risk_code
- 36/37/38-22
- hazard_code
- Xi,Xn
- safety_code
- 26-36-37/39
- 포장분류
- III
- 위험 등급
- 6.1(b)
- 기존화학 물질
- KE-23287
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
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, 4-ethyl-2-methoxy-: ACTIVE
응용 분야
출처Reported found in several distillates of plant origin; it was identified in camphor oil, and it had been reported previously in Tolu and Peru balsam as well as in various wood distillates. Also reported found in cinnamon, coffee, grape, brandy, malt, rum, soy sauce, whiskey, grapefruit juice, smoked fish, lean fish, beer, cognac, cider, grape wines and apple brandy.
용도4-Ethyl-2-methoxyphenol is used as smoke flavoring in the food industry and displays antioxidant activity due to its phenolic composition. It is also present in red grapes and in red wines.
일반 설명4-Ethylguaiacol is a volatile compound, belonging to the class of phenols. It is identified as one of the key aroma components in commercial soy sauce, red wine, and apple cider. The unpleasant smoky, spicy, and clove-like aroma in wine is due to the presence of high concentrations of 4-Ethylguaiacol.
상·하류 제품 정보
상류 원료
관련 반응
92건
화합물 노트
불러오는 중…