기본 정보
- CAS
623-22-3- 표준 SMILES
CCCOC(=O)/C=C/c1ccco1- InChIKey
RRFBKGHLBNBFGL-AATRIKPKSA-N- 분자식
- C10H12O3
- 평균 분자량
- 180.2 g/mol
- 단동위원소 질량
- 180.07864424
이름 및 식별자
- 우선 이름
- Propyl 2-furanacrylate
- IUPAC
- propyl (E)-3-(furan-2-yl)prop-2-enoate
- 영어명
- Propyl 2-Furanacrylate
- 분자식
- C10H12O3
- 분자량
- 180.2
이름 및 동의어
Propyl 2-furan acrylatePropyl 2-furanacrylatePropyl 2-furanacrylate [FHFI]Propyl 3-(2-furyl)acrylateUNII-443YU9P708443YU9P70863485-68-72-Propenoic acid, 3-(2-furanyl)-, propyl ester, (2E)-2-Propenoic acid, 3-(2-furanyl)-, propyl ester, (E)-623-22-32-PROPENOIC ACID, 3-(2-FURANYL)-, PROPYL ESTERDTXSID1060766
이름 더 보기
FEMA 2945PROPYL-2-FURAN ACRYLATE(E)-propyl 2-furan acrylate3-(2-furanyl)-2-propenoicacipropylester2-Propenoicacid,3-(2-furanyl)-,propylester3-(2-furanyl)-2-propenoic acid propyl ester
RefChem:176467DTXCID70432972-Furanacrylic acid, propyl esterpropyl (2Z)-3-(furan-2-yl)prop-2-enoatePropyl 3-(2-furyl)-2-propenoateFEMA No. 2945EINECS 210-780-6Propyl beta-furylacrylate
데이터베이스 식별자
- CAS
623-22-3、63485-68-7- PubChem CID
- 6537093
- UNII
- 443YU9P708
- EC Number
- 210-780-6
- Nikkaji
- J139.672B
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 39.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 187
실험 및 물리화학적 성질
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.071-1.077 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water
Soluble (in ethanol)
Boiling Point119 °C (7 mm Hg)
Refractive Index1.520-1.526
Physical DescriptionColourless to pale yellow liquid; Light strawberry, pear-like aroma
물리화학적 성질
- 끓는 점
- 253.02 °C · 253.02°C (rough estimate)
- 밀도
- 1.0744 · 1.0744
- 굴절률
- 1.5392 · 1.5392 (estimate)
- FEMA
- 2945 · 2945 | PROPYL 2-FURANACRYLATE
- 냄새
- 1 % · 디프로필렌 글리콜 중 1.00%. 달콤한 향신료 과일 카라멜
- 냄새 유형
- 매운
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 6.4% (88 of 1375) of reports.
Warning
H302 (93.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1375 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 2-Propenoic acid, 3-(2-furanyl)-, propyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Propenoic acid, 3-(2-furanyl)-, propyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (93.6%)
안전 데이터
- tsca
- TSCA listed
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-Propenoic acid, 3-(2-furanyl)-, propyl ester: ACTIVE
응용 분야
용도Propyl 2-Furanacrylate is a synthetic flavoring agent that is a stable, colorless to light yellow liquid of fruity odor. It should be stored in glass or tin-lined containers. It is used in flavors for apple, pear, and raspberry with applications in beverages, candy, and baked goods at 1–3 ppm.
제조 방법
By esterification of n-propanol with furanacrylic acid.
공급사4 곳
Alfa Chemistry+1-5166625404 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
BOC Sciences[email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
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