기본 정보
- CAS
623-17-6- 표준 SMILES
CC(=O)OCc1ccco1- InChIKey
CKOYRRWBOKMNRG-UHFFFAOYSA-N- 분자식
- C7H8O3
- 평균 분자량
- 140.14 g/mol
- 단동위원소 질량
- 140.04734411
개요
Furfuryl acetate appears as colorless to clear yellow or orange liquid with a pungent odor. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Furfural acetate
- IUPAC
- furan-2-ylmethyl acetate
- 현지명
- 아세트산푸르푸릴에스테르
- 영어명
- Furfuryl acetate
- 분자식
- C7H8O3
- 분자량
- 140.14
이름 및 동의어
Furfuryl acetate623-17-62-Furanmethanol, acetateFURFURAL ACETATEAcetic acid furfuryl ester2-Furanmethanol acetateFurfuryl alcohol, acetate2-Acetoxymethylfuran2-Furanmethyl acetateAcetic acid furfurylester2-Furylcarbinyl acetate2-Furanmethanol, 2-acetate
이름 더 보기
아세트산푸르푸릴에스테르푸르푸릴아세트산퍼퓨릴아세테이트푸르푸릴아세트산(FURFURYLACETATE)퍼퓨릴 아세테이트furfurylFEMA 24902-furfurylacetateFuran-2-ylmethyl acetateFURFURALACETATEFurfuryl acetatFurfury acetate
FEMA No. 2490CCRIS 6242DTXSID70253463CJC9ALG3XNSC 5585EINECS 210-775-9BRN 0116128AI3-11016
데이터베이스 식별자
- CAS
623-17-6- PubChem CID
- 12170
- DTXSID
DTXSID7025346- ChEMBL
CHEMBL1522321
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 39.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 122
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Esters, Other
SpringerMaterials PropertiesDielectric constant
FragrancesFragrance Ingredient (Furfuryl acetate) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
1.1175 at 68 °F (NTP, 1992) - Denser than water; will sink
1.110-1.119
Flavoring AgentsEU Flavoring substances
Solubility
5 to 10 mg/mL at 73 °F (NTP, 1992)
insoluble in water; soluble in oils
miscible (in ethanol)
Flash Point150 °F (NTP, 1992)
Boiling Point
347 to 351 °F at 760 mmHg (NTP, 1992)
175.00 to 177.00 °C. @ 760.00 mm Hg
175-177 °C
Vapor Density4.8 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
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 4.6% (65 of 1406) of reports.
Warning
H302 (93.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1406 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 2-Furanmethanol, acetate
Regulation (EC) No 1831/2003 (amended)
2-Furanmethanol, acetate: Does not have an individual approval but may be used under an appropriate group standard
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include edema and skin, eye, mucous membrane and respiratory tract irritation.
Hazards SummarySafe when used as a flavoring agent in food; [EFSA] A skin, eye, mucous membrane, and respiratory tract irritant; [NTP] May cause irritation; [Alfa Aesar MSDS]
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile
FURFURYL ACETATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. This compound reacts with strong oxidizing agents, strong acids, strong bases and strong reducing agents. This compound reacts violently with cyanoacetic acid, formic acid, mineral acids, nitric acid and (nitric acid + N204 + sulfuric acid). (NTP, 1992)
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
UsesUsed as a flavoring agent; [FDA]
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2-Furanmethanol, 2-acetate: ACTIVE
응용 분야
출처Reported found in roasted almonds, beer, white bread, cocoa, coffee, roasted flberts, roasted onion, roasted peanuts, cooked pork liver, wheaten and crispbread, oats, rum, beer, licorice, dried bonito, sukiyaki and Bourbon vanilla
용도Furfuryl acetate is a flavoring ingredient. It was used in the synthesis of 5-acetoxymethyl-2-vinylfuran and 5-hydroxymethyl-2-vinylfuran via Vilsmeier-Haack and Wittig reactions.
일반 설명Colorless to clear yellow or orange liquid with a pungent odor.
상·하류 제품 정보
상류 원료
관련 반응
4건
화합물 노트
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