기본 정보
- CAS
3558-60-9- 표준 SMILES
COCCc1ccccc1- InChIKey
CQLYXIUHVFRXLT-UHFFFAOYSA-N- 분자식
- C9H12O
- 평균 분자량
- 136.19 g/mol
- 단동위원소 질량
- 136.088815
개요
(2-Methoxyethyl)benzene is a member of benzenes.
이름 및 식별자
- 우선 이름
- Methyl phenethyl ether
- IUPAC
- 2-methoxyethylbenzene
- 영어명
- (2-Methoxyethyl)benzene
- 분자식
- C9H12O
- 분자량
- 136.19
이름 및 동의어
(2-Methoxyethyl)benzene3558-60-9Methyl phenethyl ether2-Phenylethyl methyl etherPhenylethyl methyl etherBenzene, (2-methoxyethyl)-Kewda etherMethyl phenylethyl etherMethyl phenethyl oxideKedwa etherETHER, METHYL PHENETHYLMethyl 2-phenethyl ether
이름 더 보기
PHENYL ETHYL METHYL ETHERFEMA 31982-MethoxyethylbenzenekewdaetherMetoprolol IMpurity Wmethyl2-phenethylether
1-Methoxy-2-phenylethanePhenethyl methyl etherchrysanthemum oxide2-Phenethyl methyl etherFEMA No. 3198NSC 81229EINECS 222-619-7BRN 1857538
데이터베이스 식별자
- CAS
3558-60-9- PubChem CID
- 19089
- DTXSID
DTXSID1052032- ChEMBL
CHEMBL4528537- ChEBI
CHEBI:196450- UNII
- 79089Z2R3S
- EC Number
- 222-619-7
- Nikkaji
- J75.050F
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 9.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 74.8
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Methyl phenethyl ether) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.945-0.951
Flavoring AgentsEU Flavoring substances
Solubility
very slightly
Insoluble in water; soluble in oils
soluble (in ethanol)
Boiling Point
185.00 to 187.00 °C. @ 760.00 mm Hg
185-187 °C
Refractive Index1.497-1.501
Physical Description
Liquid
colourless mobile liquid, powerful, diffusive and penetrating aroma with a warm floral note
물리화학적 성질
- 끓는 점
- 190 °C · 190 °C
- 밀도
- 0.95 · 0.95
- 증기압
- 66.7 Pa · 66.7Pa at 25℃
- 굴절률
- 1.498 to · 1.4980 to 1.5000
- FEMA
- 3198 · 3198 | METHYL PHENETHYL ETHER
- 인화점
- 80 °C · 80 °C
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- 투명한 액체
- 색상
- 무색~연황색
- 냄새
- 10 % · 디프로필렌 글리콜 중 10.00%. 녹색 꽃 국화 자스민 메탈릭 로즈
- 냄새 유형
- 녹색
- 수용성
- 682 mg/L · 682mg/L at 25℃
- JECFA Number
- 1254 · 1254
- 화장품 원료 기능
- 향수
- LogP
- 2.845 at · 2.845 at 25℃
- NIST
- Ether, methyl phenethyl(3558-60-9)
- EPA
- Phenylethyl methyl ether (3558-60-9)
화학적 성질
(2-Methoxyethyl)benzene is a colorless liquid with a sharp, rosy-green odor. It is used in oriental-type perfumes as well as in artificial keora oil.
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 94.8% (1501 of 1583) of all reports.
Not Classified
Aggregated GHS information provided per 1583 reports by companies from 9 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Benzene, (2-methoxyethyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzene, (2-methoxyethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, (2-methoxyethyl)- 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)
REACH registered substance: (2-methoxyethyl)benzene (EC: 222-619-7)
Benzene, (2-methoxyethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
안전 데이터
- tsca
- TSCA listed
- rtecs
- KO2230000
- HS 번호
- 29093090
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
U.S. Production2023: 28,468 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 1 consumer products that contain Methyl Phenethyl Ether in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Benzene, (2-methoxyethyl)-: ACTIVE
응용 분야
개요Methyl phenethyl ether has a powerful diffusive and penetrating odor with a warm, floral note. It is "grassy" and pungent on dilution. May be prepared by catalytic reduction of phenylacetaldehyde dimethyl acetal; from phenylethyl alcohol and methanol.
출처Reported as occurring in Pandanus odoratissimus and in the oil of Tagetes signata and Scotch spearmint oil; also in litchi
용도Phenylethyl methyl ether is a volatile compound that can be found in Litchi wine (and Litchi fruit) during winemaking. Phenylethyl methyl ether is also an additive to perfumes, detergents and soaps.
제조 방법
By catalytic reduction of phenylacetaldehyde dimethyl acetal; from phenylethyl alcohol and methanol
상·하류 제품 정보
상류 원료
하류 제품
공급사86 곳
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