기본 정보
- CAS
101-48-4- 표준 SMILES
COC(Cc1ccccc1)OC- InChIKey
WNJSKZBEWNVKGU-UHFFFAOYSA-N- 분자식
- C10H14O2
- 평균 분자량
- 166.22 g/mol
- 단동위원소 질량
- 166.09937969
개요
1,1-Dimethoxy-2-phenylethane is a member of benzenes.
이름 및 식별자
- 우선 이름
- Phenyl acetaldehyde dimethyl acetal
- IUPAC
- 2,2-dimethoxyethylbenzene
- 현지명
- (2,2-디메톡시에틸)벤젠
- 영어명
- PHENYLACETALDEHYDE DIMETHYL ACETAL
- 분자식
- C10H14O2
- 분자량
- 166.22
이름 및 동의어
101-48-4Phenylacetaldehyde dimethyl acetal(2,2-Dimethoxyethyl)benzeneViridineHyscylene P1,1-Dimethoxy-2-phenylethaneBENZENE, (2,2-DIMETHOXYETHYL)-PADMA2,2-Dimethoxy-1-phenylethanePhenacetaldehyde dimethyl acetalphenyl acetaldehyde dimethyl acetal2-Phenylacetaldehyde dimethyl acetal
이름 더 보기
(2,2-디메톡시에틸)벤젠FEMA 2876PADIMAhyscylenep2,2-DIMETHOXYETHYLBENZENE1,1-Dimethoxymethylbenzene(2,2-dimethoxyethyl)-benzen1,1-dimethoxy-2-phenyl-ethan
Phenylacetic aldehyde dimethyl acetalAcetaldehyde, phenyl-, dimethyl acetalalpha-Tolyl aldehyde dimethyl acetalFEMA No. 2876alpha-Tolylaldehyde dimethyl acetalEthane, 1,1-dimethoxy-2-phenyl-NSC 5174DTXSID3047001
데이터베이스 식별자
- CAS
101-48-4- PubChem CID
- 60995
- DTXSID
DTXSID3047001- ChEMBL
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 18.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 104
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Phenylacetaldehyde dimethyl acetal) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.000-1.006
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in oils, propylene glycol
1 mL in 2 mL 70% ethanol (in ethanol)
Boiling Point
219.00 to 221.00 °C. @ 754.00 mm Hg
219 °C
Refractive Index1.492-1.498
Physical Description
Liquid
Colourless liquid; powerful green-earthy, flower stem like odour
물리화학적 성질
- 끓는 점
- 219 · 219-221 °C754 mm Hg(lit.)
- 밀도
- 1.004 g/mL · 1.004 g/mL at 25 °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 1% (17 of 1706) of reports.
Warning
H319 (92.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 1706 reports by companies from 4 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Benzene, (2,2-dimethoxyethyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzene, (2,2-dimethoxyethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, (2,2-dimethoxyethyl)- 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: 1,1-dimethoxy-2-phenylethane (EC: 202-945-6)
Phenylacetaldehyde dimethyl acetal: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesEye Irrit. 2 (92.9%)
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- AB3040000
- 독성
- LD50 orl-rat: 3500 mg/kg FCTXAV 13,681,75
- HS 번호
- 29110000
- safety_code
- 23-24/25-S24/25-S23
- 기존화학 물질
- KE-11064
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
U.S. Production2023: 8,554,797 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 20 consumer products that contain 1,1-Dimethoxy-2-phenylethane in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Benzene, (2,2-dimethoxyethyl)-: ACTIVE
응용 분야
출처Reported found in cocoa and Bulgarian tobacco
제조 방법
By the cold reaction of the corresponding aldehyde with methanol or with orthoformic ester in the presence of acid.
상·하류 제품 정보
상류 원료
하류 제품
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