基本情報
- CAS
326-61-4- 標準SMILES
CC(=O)OCc1ccc2c(c1)OCO2- InChIKey
PFWYHTORQZAGCA-UHFFFAOYSA-N- 分子式
- C10H10O4
- 平均分子量
- 194.18 g/mol
- 単同位体質量
- 194.0579088
概要
Piperonyl acetate is a clear pale yellow liquid. Insoluble in water. (NTP, 1992)
名称と識別子
- 優先名称
- Piperonyl acetate
- IUPAC
- 1,3-benzodioxol-5-ylmethyl acetate
- 現地名
- 酢酸1,3-ベンゾジオキソール-5-イルメチル
- 英語名
- PIPERONYL ACETATE
- 分子式
- C10H10O4
- 分子量
- 194.18
名称と別名
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
名称をさらに表示
酢酸3,4-メチレンジオキシベンジル酢酸ヘリオトロピル1,3-ベンゾジオキソール-5-メタノールアセタートピペロニルアセタート酢酸ピペロニル酢酸(1,3-ベンゾジオキソール-5-イル)メチルヘリオトロピルアセタート酢酸1,3-ベンゾジオキソール-5-イルメチルピペロニルアセテ-ト(2H-1,3-ベンゾジオキソール-5-イル)メチル アセタート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
物性
構造計算による物性
- XLogP
- 1.6
- 極性表面積
- 44.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 3
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 216
実験および物理化学的性質
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
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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.
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
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
応用分野
天然物の起源Reported found in endive (Cichorium endivia L.).
使用Piperonyl 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.
一般的な説明Clear pale yellow liquid. Insoluble in water.
調製方法
製造方法By acetylation of the corresponding alcohol; by boiling dimethylpiperonyl amine with acetic anhydride.
上流・下流製品情報
上流原料
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