ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
化工社オープンプロジェクト:[email protected]AIアクセス:llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.7.8
  1. ホーム
  2. /化合物

4-(1,3-ベンゾジオキソール-5-イル)-3-ブテン-2-オン

Piperonylidene acetone

HCID 6040503
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
3160-37-0
標準SMILES
CC(=O)/C=C/c1ccc2c(c1)OCO2
InChIKey
XIYPXOFSURQTTJ-NSCUHMNNSA-N
分子式
C11H10O3
平均分子量
190.19 g/mol
単同位体質量
190.06299418

概要

Piperonyl acetone is a clear yellow liquid. Insoluble in water. (NTP, 1992)

名称と識別子

優先名称
Piperonylidene acetone
IUPAC
(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one
現地名
4-(1,3-ベンゾジオキソール-5-イル)-3-ブテン-2-オン
英語名
3,4-(Methylenedioxy)benzylideneacetone
分子式
C11H10O3
分子量
190.2

名称と別名

Piperonylidene acetonePiperonalacetonePiperonylideneacetoneAcetone, piperonylidene-3,4-(Methylenedioxy)benzalacetone2-Butanone, 4-(3,4-(methylenedioxy)phenyl)-3-Buten-2-one, 4-(3,4-(methylenedioxy)phenyl)-T43BYJ64EG3,4-Methylenedioxybenzyl acetoneNSC-217304NSC-407384RefChem:863612
名称をさらに表示
5-(3-オキソ-1-ブテニル)-1,3-ベンゾジオキソールメチル2-(1,3-ベンゾジオキソール-5-イル)エテニルケトン4-(1,3-ベンゾジオキソール-5-イル)-3-ブテン-2-オン3,4-(メチレンジオキシ)ベンジリデンアセトン4-(2H-1,3-ベンゾジオキソール-5-イル)ブタ-3-エン-2-オンpiperonylene-acetonepiperonylidene-aceton5-(3-OXOBUTYL)-1,3-BENZODIOXOLE5-(3-Oxo-1-butenyl)-1,3-benzodioxole4-(1,3-benzodioxol-5-yl)-3-buten-2-on4-(1,3-benzodioxol-5-yl)but-3-en-2-one4-(1,3-benzodioxol-5-yl)-3-buten-2-one
4-(1,3-benzodioxol-5-yl)-3-butene-2-one221-608-4Piperonyl acetone3160-37-03,4-(METHYLENEDIOXY)BENZYLIDENEACETONE4-(Benzo[d][1,3]dioxol-5-yl)but-3-en-2-one(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one3-Buten-2-one, 4-(1,3-benzodioxol-5-yl)-

物性

構造計算による物性

XLogP
2.2
極性表面積
35.5 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
2
重原子数
14
形式電荷
0
複雑度
247

実験および物理化学的性質

Chemical ClassesOther Classes -> Other Aromatic Compounds
Flavoring AgentsEU Flavoring substances
Solubility · 2 件

Insoluble (<1 mg/ml) (NTP, 1992)

INSOL IN WATER, PETROLEUM ETHER; SLIGHTLY SOL IN ALCOHOL, HOT WATER; SOL IN ETHER, BENZENE; VERY SOL IN HOT ALCOHOL, CARBON TETRACHLORIDE

Flash Pointgreater than 200 °F (NTP, 1992)
Melting Point111 °C
Vapor Pressure0.000594 [mmHg]
Physical Description · 2 件

Piperonyl acetone is a clear yellow liquid. Insoluble in water. (NTP, 1992)

Clear yellow liquid; [CAMEO] White or pale yellow powder; [MSDSonline]

物理化学的性質

融点
108 · 108-110°C
沸点
285.69 °C · 285.69°C (rough estimate)
比重(密度)
1.1752 · 1.1752 (rough estimate)
屈折率
1.5854 · 1.5854 (estimate)

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。

危険有害性情報

Regulatory InformationChemical: 3-Buten-2-one, 4-(1,3-benzodioxol-5-yl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Fire PotentialSLIGHT, WHEN EXPOSED TO HEAT OR FLAME; CAN REACT WITH OXIDIZING MATERIALS. /PIPERONAL/
Hazards SummaryToxic by ingestion; Estimated lethal dose = 1 ounce to 1 pint; [HSDB] May cause irritation; [MSDSonline]
Reactive GroupEthers
Reactivity Profile · 1 件

PIPERONYL ACETONE is a ketone. Ketones are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4.

Air and Water ReactionsInsoluble in water.

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

化学と産業

用途と製造

Household ProductsInformation on 1 consumer products that contain Piperonyl Acetone in the following categories is provided:
General Manufacturing Information3-Buten-2-one, 4-(1,3-benzodioxol-5-yl)-: INACTIVE

応用分野

一般的な説明Clear yellow liquid. Insoluble in water.

サプライヤー16 社

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]

関連反応

2 件
反応記録を作成
HRID 464759 の反応式
HRID 464759生成物としてuspto-grants-1985_10
HRID 1651357 の反応式
HRID 1651357反応物としてuspto-grants-1990_05

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート

データベース識別子

CAS
3160-37-0
PubChem CID
6040503
ChEMBL
CHEMBL104084
UNII
T43BYJ64EG
EC Number
221-608-4
Nikkaji
J25.345F、J417.066K
BRN
83983 · 83983
CAS データベース
3160 · 3160-37-0(CAS DataBase Reference)
EPAの化学物質情報
3 · 3,4-(Methylenedioxy)benzalacetone (3160-37-0)
Storage Conditions · 1 件

IN GENERAL, MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMP INTO TOXIC COMPONENTS...SHOULD BE STORED IN A COOL, WELL-VENTILATED PLACE, OUT OF DIRECT RAYS OF THE SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, & SHOULD BE PERIODICALLY INSPECTED... INCOMPATIBLE MATERIALS SHOULD BE ISOLATED FROM EACH OTHER. /PIPERONAL/

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with toluene followed by washing with a strong soap and water solution. Do no reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Disposal Methods · 1 件

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

安全データ

tsca
TSCA listed
rtecs
EM9822500
hs_code
2932990090
safety_code
22-24/25
有毒物質データの
3160-37-0(Hazardous Substances Data)
陕西缔都医药化工有限公司
+86-29-81139210 +86-17392587031 · [email protected]
成都安普生医药科技有限公司13568817957 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]