기본 정보
- CAS
7493-57-4- 표준 SMILES
CCCOC(C)OCCc1ccccc1- InChIKey
FMYCPRQGKSONCP-UHFFFAOYSA-N- 분자식
- C13H20O2
- 평균 분자량
- 208.3 g/mol
- 단동위원소 질량
- 208.14632988
개요
Acetal R is a member of benzenes.
이름 및 식별자
- 우선 이름
- Acetaldehyde phenethyl propyl acetal
- IUPAC
- 2-(1-propoxyethoxy)ethylbenzene
- 현지명
- [2-(1-프로폭시에톡시)에틸]벤젠
- 영어명
- [2-(1-Propoxyethoxy)ethyl]benzene
- 분자식
- C13H20O2
- 분자량
- 208.3
이름 및 동의어
(2-(1-Propoxyethoxy)ethyl)benzene7493-57-4Acetal RAcetaldehyde phenethyl propyl acetalPepital[2-(1-Propoxyethoxy)ethyl]benzeneAcetaldehyde phenylethyl propyl acetalAcetaldehyde propyl phenylethyl acetalFEMA No. 2004Benzene, [2-(1-propoxyethoxy)ethyl]-LEAFY ACETALACETALDEHYDE, PHENETHYL PROPYL ACETAL
이름 더 보기
[2-(1-프로폭시에톡시)에틸]벤젠FEMA 2004HYACINTH BODY NO.3SKL1164propylphenethylacetal1-phenethoxy-1-propoxyethane(2-(1-Propoxyethoxy)ethyl)benzol
Benzene, (2-(1-propoxyethoxy)ethyl)-EINECS 231-327-9UNII-U811MB854IU811MB854IDTXSID2052493Acetaldehyde phenylethyl n-propyl acetal2-(1-PROPOXYETHOXY)ETHYL)BENZENEACETALDEHYDE PHENETHYL PROPYL ACETAL [FHFI]
데이터베이스 식별자
- CAS
7493-57-4- PubChem CID
- 61403
- DTXSID
DTXSID2052493- ChEBI
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 18.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 141
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Propyl phenethyl acetal) -> IFRA transparency List
LogP3.464
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.944-0.950
Flavoring AgentsEU Flavoring substances
Solubility
201 mg/L @ 20 °C (exp)
Miscible in oils
Miscible at room temperature (in ethanol)
Boiling Point
79.00 to 81.00 °C. @ 0.75 mm Hg
272 °C
Refractive Index1.475-1.483
Physical DescriptionColourless liquid; powerful, ethereal green-herbal and leafy odour
물리화학적 성질
- 끓는 점
- 307.5 °C · 307.5°C (rough estimate)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1614 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Benzene, [2-(1-propoxyethoxy)ethyl]-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: [2-(1-propoxyethoxy)ethyl]benzene (EC: 231-327-9)
Benzene, 2-(1-propoxyethoxy)ethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAquatic Chronic 3 (100%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- AB2985000
- 독성
- LD50 orl-rat: >5 g/kg FCTOD7 30,109S,92
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsMembrane
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
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzene, [2-(1-propoxyethoxy)ethyl]-: ACTIVE
제조 방법
From acetaldehyde with a mixture of propyl and β-phenyl ethyl alcohols
공급사24 곳
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
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