기본 정보
- CAS
105-01-1- 표준 SMILES
CC(C)COC(=O)CCc1ccco1- InChIKey
SVDPTFHRRNUNRS-UHFFFAOYSA-N- 분자식
- C11H16O3
- 평균 분자량
- 196.24 g/mol
- 단동위원소 질량
- 196.10994437
개요
Isobutyl 2-furanpropionate is a fatty acid ester.
이름 및 식별자
- 우선 이름
- Isobutyl-2-furanpropionate
- IUPAC
- 2-methylpropyl 3-(furan-2-yl)propanoate
- 영어명
- Isobutyl furfurylacetate
- 분자식
- C11H16O3
- 분자량
- 196.24
이름 및 동의어
105-01-1Isobutyl furfurylacetateIsobutyl 2-furanpropionate2-methylpropyl 3-(furan-2-yl)propanoate2-Methylpropyl 2-furanpropanoateIsobutyl-2-furanpropionateIsobutyl 3-(2-furyl)propanoateIsobutyl furan-2-propionateFEMA No. 21982-Furanpropanoic acid, 2-methylpropyl esterIsobutyl 3-(2-furan)propionate2-FURANPROPIONIC ACID, ISOBUTYL ESTER
이름 더 보기
FEMA 2198isobutylfuran-2Isobutyl furyi propionateISOBUTYL FURYL PROPIONATEisobutylfuran-2-propionateISOBUTYL3-(2-FURYLPROPIONATE)ISOBUTYL3-(2-FURAN)PROPIONATE
VTW5O0BY7TEINECS 203-261-0BRN 4991049DTXSID4051532ISOBUTYL-2-FURANPROPIONATE [FHFI]RefChem:791643DTXCID5030084203-261-0
데이터베이스 식별자
- CAS
105-01-1- PubChem CID
- 7733
- DTXSID
DTXSID4051532- ChEBI
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 39.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 177
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
FragrancesFragrance Ingredient (Isobutyl 3-(2-furan)propionate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.007-1.013
Flavoring AgentsEU Flavoring substances
Solubility
very slightly
Very slightly soluble in water
Soluble (in ethanol)
Boiling Point
105.00 °C. @ 3.00 mm Hg
105 (3 mm Hg)
Refractive Index1.531-1.537
Physical DescriptionColourless to pale, straw-yellow liquid; Fruity, winey, brandy-like aroma
물리화학적 성질
- 끓는 점
- 273.13 °C · 273.13°C (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 88.8% (308 of 347) of all reports.
Warning
H302 (11.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 347 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 2-Furanpropanoic acid, 2-methylpropyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Furanpropanoic acid, 2-methylpropyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Furanpropanoic acid, 2-methylpropyl ester: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (11.2%)
안전 데이터
- tsca
- TSCA listed
- 독성
- rabbit,LD50,skin,2gm/kg (2000mg/kg),Food and Cosmetics Toxicology. Vol. 17, Pg. 835, 1979.
- risk_code
- 22-27
- hazard_code
- T+
- safety_code
- 28-36/37-45
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
General Manufacturing Information2-Furanpropanoic acid, 2-methylpropyl ester: ACTIVE
응용 분야
개요Isobutyl 2-furanpropionate has a fruity, winey, brandy-like odor and a pungent taste above 50 ppm. It has a sweet, dry, brandy flavor at low levels. May be synthesized by esterification of 2 -furanpropionic acid with isobutanol.
제조 방법
By esterification of 2-furanpropionic acid with isobutanol
상·하류 제품 정보
상류 원료
공급사27 곳
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
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