기본 정보
- CAS
326-61-4- 표준 SMILES
CC(=O)OCc1ccc2c(c1)OCO2- InChIKey
PFWYHTORQZAGCA-UHFFFAOYSA-N- 분자식
- C10H10O4
- 평균 분자량
- 194.18 g/mol
- 단동위원소 질량
- 194.0579088
개요
Piperonyl acetate is a clear pale yellow liquid. Insoluble in water. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Piperonyl acetate
- IUPAC
- 1,3-benzodioxol-5-ylmethyl acetate
- 영어명
- PIPERONYL ACETATE
- 분자식
- C10H10O4
- 분자량
- 194.18
이름 및 동의어
PIPERONYL ACETATE326-61-4Heliotropyl acetate1,3-benzodioxol-5-ylmethyl acetateHeliotropin acetatePiperonyl alcohol, acetate3,4-Methylenedioxybenzyl acetateFEMA No. 29121,3-Benzodioxole-5-methanol, acetateAcetic acid, (3,4-methylenedioxy)benzyl esterDTXSID2025925090XZ4C7VN
이름 더 보기
FEMA 2912PiperonylacetatHELIOTROPYLACETATPiperonylAcetate>PIPERONYL ACETATE 99+%piperonylalcohol,acetateAcetic Acid Piperonyl Ester
1,3-Benzodioxole-5-methanol, 5-acetateNSC-406725DTXCID9059252H-1,3-benzodioxol-5-ylmethyl acetateRefChem:1744611,3-Benzodioxole-5-methanol acetate206-312-5Benzo[d][1,3]dioxol-5-ylmethyl acetate
데이터베이스 식별자
- CAS
326-61-4- PubChem CID
- 9473
- DTXSID
DTXSID2025925- ChEMBL
CHEMBL1366925- ChEBI
CHEBI:173936- UNII
- 090XZ4C7VN
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 44.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 216
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Piperonyl acetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.227-1.239
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble (<1 mg/ml) (NTP, 1992)
very slightly
insoluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Flash Pointgreater than 200 °F (NTP, 1992)
Boiling Point
150.00 to 151.00 °C. @ 10.00 mm Hg
150-151 °C (10 mm Hg)
Melting Point51 °C
Refractive Index1.523-1.529
Physical Description
Piperonyl acetate is a clear pale yellow liquid. Insoluble in water. (NTP, 1992)
Solid
colourless oily liquid with a sweet, light, floral-fruity odour
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 98.2% (165 of 168) of all reports.
Not Classified
Aggregated GHS information provided per 168 reports by companies from 4 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 1,3-Benzodioxole-5-methanol, acetate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: Piperonyl acetate (EC: 206-312-5)
1,3-Benzodioxole-5-methanol, acetate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1,3-Benzodioxole-5-methanol, acetate: Environment tier I assessment
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: This compound is an irritant. (NTP, 1992)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile
PIPERONYL 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.
Air and Water ReactionsInsoluble in water.
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
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
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information1,3-Benzodioxole-5-methanol, 5-acetate: ACTIVE
응용 분야
출처Reported found in endive (Cichorium endivia L.).
용도Piperonyl Acetate is a synthetic flavoring agent that is a stable, col- orless to light yellow liquid of heliotrope odor. it should be stored in glass or resin-lined containers. it is used in flavors for berry notes with applications in beverages, candy, ice cream, and baked goods at 50–90 ppm.
일반 설명Clear pale yellow liquid. Insoluble in water.
제조 방법
By acetylation of the corresponding alcohol; by boiling dimethylpiperonyl amine with acetic anhydride.
상·하류 제품 정보
상류 원료
관련 반응
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