3-(2-퓨릴)아크롤레인
3-(2-Furyl)acrolein
기본 정보
- CAS
39511-08-5- 표준 SMILES
O=CC=Cc1ccco1- InChIKey
VZIRCHXYMBFNFD-UHFFFAOYSA-N- 분자식
- C7H6O2
- 평균 분자량
- 122.12 g/mol
- 단동위원소 질량
- 122.03677943
개요
Beta-(2-furyl)acrolein is a light brown powder. Cinnamon odor. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 3-(2-Furyl)acrolein
- IUPAC
- 3-(furan-2-yl)prop-2-enal
- 현지명
- 3-(2-퓨릴)아크롤레인
- 영어명
- 3-(2-FURYL)ACROLEIN
- 분자식
- C7H6O2
- 분자량
- 122.12
이름 및 동의어
3-(2-Furyl)acrolein3-(2-Furyl)acrylaldehydeDTXSID20253493-(2-Furyl)-2-propenalRefChem:1066533DTXCID905349628-201-42-Propenal, 3-(2-furanyl)-623-30-3Furyl acroleinFurfuryliden-acetaldehyd3-(2-furyl)prop-2-enal
이름 더 보기
3-(2-퓨릴)아크롤레인FEMA 2494(E)-3-(furan-2-yl)acrylaldehydeAT-511022-FURYL ACROLEINFURAN-2-ACROLEINAKOS BBS-00003241B-(2-FURYL)ACROLEINTIMTEC-BB SBB004286
beta-(2-FURYL)ACROLEIN3-(2-Furanyl)-2-propenal3-(2-furyl)-acroleinSCHEMBL560500SCHEMBL1485961AKOS025243212SB60942NCI60_001734
데이터베이스 식별자
- CAS
39511-08-5、623-30-3- PubChem CID
- 12174
- DTXSID
DTXSID2025349- EC Number
- 210-785-3、628-201-4
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 30.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 118
실험 및 물리화학적 성질
SpringerMaterials PropertiesBoiling point
LogP1.15
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble (<1 mg/ml at 68.0 °F) (NTP, 1992)
Insoluble in water
Soluble (in ethanol)
Boiling Point275 °F at 14 mmHg (NTP, 1992)
Melting Point129 °F (NTP, 1992)
Physical Description
Beta-(2-furyl)acrolein is a light brown powder. Cinnamon odor. (NTP, 1992)
White or yellow needles; Cooked spicy-herb aroma
물리화학적 성질
- 녹는점
- 49 · 49-55 °C(lit.)
- 끓는 점
- 143 °C37 · 143 °C37 mm Hg(lit.)
- 밀도
- 1.1483 · 1.1483 (rough estimate)
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 6.2% (88 of 1419) of reports.
Danger
H302 (93.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1419 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
유해성 정보
Regulatory Information
Chemical: 2-Propenal, 3-(2-furanyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Propenal, 3-(2-furanyl)-: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelCorrosive
Fire HazardsFlash point data are not available for this chemical, but it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include irritation of the eyes, skin and mucous membranes.
Reactive GroupAldehydes
Reactivity Profile
BETA-(2-FURYL)ACROLEIN is an aldehyde. May become involved in exothermic self-condensation or polymerization reactions that are often catalyzed by acid. May generate flammable and/or toxic gases with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Can react with air to give first peroxo acids, and ultimately carboxylic acids. These autoxidation reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by the products of the reaction). The addition of stabilizers (antioxidants) to shipments of aldehydes retards autoxidation.
화학 및 산업
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2-Propenal, 3-(2-furanyl)-: ACTIVE
응용 분야
용도(E)-3-(Furan-2-yl)acrylaldehyde is a useful reagent in the synthesis of highly substituted tetrahydrofurans and tetrahydropyrans using double Michael addition strategy. A synthesis intermediate.
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