4-Ethylguaiacol (HCID 62465)

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 Å²
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 · 2건

slightly soluble in water; miscible in oils

miscible (in ethanol)

Boiling Point · 2건

235.00 to 236.00 °C. @ 760.00 mm Hg

229-235 °C

물리화학적 성질

녹는점: 15 °C · 15 °C(lit.)
끓는 점: 234 · 234-236 °C(lit.)
밀도: 1.063 g/mL · 1.063 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.528(lit.)
FEMA: 2436 · 2436 | 4-ETHYLGUAIACOL
인화점: 226 °F · 226 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 10.31 · 10.31±0.18(Predicted)
물리적 상태: 액체
Specific Gravity: 1.06 · 1.06
색상: 무색투명~연황색
냄새: 10 % · 디프로필렌 글리콜 중 10.00%. 매콤한 스모키 베이컨 페놀 정향
생물학적 소스: synthetic
냄새 유형: 매운
JECFA Number: 716 · 716
BRN: 2045329 · 2045329
Henry's Law Constant: 5.5 · 5.5×100 mol/(m3Pa) at 25℃, McFall et al. (2020)
주요 응용: 향료 및 향
화장품 원료 기능: 향수
InChI: 1S/C9H12O2/c1-3-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H3
InChIKey: CHWNEIVBYREQRF-UHFFFAOYSA-N
SMILES: CCc1ccc(O)c(OC)c1
LogP: 2.18 · 2.18
NIST: 4 · Phenol, 4-ethyl-2-methoxy-(2785-89-9)
EPA: 4 · Phenol, 4-ethyl-2-methoxy- (2785-89-9)

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

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 · 3건

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
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 4건

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 · 3건

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

하류 제품

3-(4-Hydroxyphenyl)-1-propanol 3,4-디메톡시페놀 노나데케인 4-에틸-1,3-디히드록시벤젠 2,6-Dimethoxyphenol 2-((4-Ethyl-2-methoxyphenoxy)methyl)oxirane

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

연결된 노트

불러오는 중…

메톡시-4-에틸페놀

기본 정보

개요