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1,5a,6,9,9a,9b-ヘキサヒドロ-4a(4H)-ジベンゾフランカルボアルデヒド

2,3:4,5-Di(2-butenyl)tetrahydrofurfural

HCID 31341
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
126-15-8
標準SMILES
O=CC12CC=CCC1C1CC=CCC1O2
InChIKey
XNYGOEGATLFFOX-UHFFFAOYSA-N
分子式
C13H16O2
平均分子量
204.26 g/mol
単同位体質量
204.11502975

概要

topical repellent against Phlebotomus perniciosus

名称と識別子

優先名称
2,3:4,5-Di(2-butenyl)tetrahydrofurfural
IUPAC
4,5a,6,9,9a,9b-hexahydro-1H-dibenzofuran-4a-carbaldehyde
現地名
1,5a,6,9,9a,9b-ヘキサヒドロ-4a(4H)-ジベンゾフランカルボアルデヒド
英語名
MGK 11
分子式
C13H16O2
分子量
204.26

名称と別名

126-15-8Mgk repellent 11Dibutylene tetrafurfural1,5a,6,9,9a,9b-Hexahydro-4a(4H)-dibenzofurancarboxaldehydeCaswell No. 0894a(4H)-Dibenzofurancarboxaldehyde, 1,5a,6,9,9a,9b-hexahydro-2,3,4,5-Bis(2-butylene)tetrahydro-2-furaldehydeMGK R-11HSDB 5609UNII-C62PHK07EV2,3,4,5-Bisbutylene tetrafurfuralEINECS 204-773-7
名称をさらに表示
1,5a,6,9,9a,9b-ヘキサヒドロ-4a(4H)-ジベンゾフランカルボキサルデヒド1,5a,6,9,9a,9b-ヘキサヒドロ-4a(4H)-ジベンゾフランカルボアルデヒドビスブテニレンテトラヒドロフルフラール1,4,4a,5a,6,9,9a,9b-オクタヒドロジベンゾフラン-4a-カルボアルデヒド1,5a,6,9,9a,9b-ヘキサヒドロジベンゾフラン-4a(4H)-カルボアルデヒド8-オキサトリシクロ[7.4.0.02,7]トリデカ-4,11-ジエン-7-カルバルデヒドr-11MGK 11MGK IIMKG 11ac-r-11MGK-R 11ent17,596NSC 52965Repel 111MGK 11 0.1g
BRN 00116852,3:4,5-DI(2-BUTENYL)TETRAHYDROFURFURALAI3-17596Bis-delta(sup 2)-butylenetetrahydrofurfuralNSC-529652,3,4,5-Bis(delta-2-butylene)tetrahydrofurfural2,3,4,5-Bis(delta(sup 2)-butylene)tetrahydrofurfural2,3,4,5-Bis(delta(sup 2)-butenylene)tetrahydrofurfural

物性

構造計算による物性

XLogP
2.1
極性表面積
26.3 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
1
重原子数
15
形式電荷
0
複雑度
331

実験および物理化学的性質

CosmeticsViscosity controlling; Antioxidant
PesticidesPesticides -> Insect Repellents
OdorFRUITY ODOR
Density · 3 件

1.10 @ 20 °C/4 °C

DENSITY: 1.120 @ 20 °C/20 °C /TECHNICAL GRADE/

1.10 @ 20°C

Color/FormPALE YELLOW LIQUID
SolubilityPRACTICALLY INSOL IN WATER & IN DILUTE ALKALI; MISCIBLE WITH PETROLEUM OILS, TOLUENE, XYLENE, ETHANOL
Boiling Point · 2 件

307 °C

307 °C @760 [mm Hg]

Melting Point · 2 件

-80 °C

-80 °C

Physical DescriptionPale yellow liquid with a fruity odor; [HSDB]
Stability/Shelf LifeSTABLE FOR LONG PERIODS IN DRUMS

物理化学的性質

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 · 3 件

H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Regulatory InformationChemical: 4a(4H)-Dibenzofurancarboxaldehyde, 1,5a,6,9,9a,9b-hexahydro-
Hazards SummaryMay cause irritation; [MSDSonline]
TSCA Requirements · 2 件

Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, use, and exposure to EPA as cited in the preamble in 51 FR 41329.

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. /4a(4H)-Dibenzofurancarboxaldehyde,1,5a,6,9,9a,9b-hexahydro/ is included on this list.

FIFRA Requirements · 1 件

As the federal pesticide law FIFRA directs, EPA is conducting a comprehensive review of older pesticides to consider their health and environmental effects and make decisions about their future use. Under this pesticide reregistration program, EPA examines health and safety data for pesticide active ingredients initially registered before November 1, 1984, and determines whether they are eligible for reregistration. In addition, all pesticides must meet the new safety standard of the Food Quality Protection Act of 1996. Pesticides for which EPA had not issued Registration Standards prior to the effective date of FIFRA, as amended in 1988, were divided into three lists based upon their potential for human exposure and other factors, with List B containing pesticides of greater concern and List D pesticides of less concern. Bis(2-butylene)tetrahydro-2-furaldehyde is found on List C. Case No: 3127; Pesticide type: insecticide; Case Status: No products containing the pesticide are actively registered ... The case /is characterized/ as "cancelled." Under FIFRA, pesticide producers may voluntarily cancel their registered products. EPA also may cancel pesticide registrations if registrants fail to pay required fees or make/meet certain reregistration commitments, or if EPA reaches findings of unreasonable adverse effects.; Active ingredient (AI): Bis(2-butylene)tetrahydro-2-furaldehyde; AI Status: The active ingredient is no longer contained in any registered pesticide products ... "cancelled."

化学と産業

用途と製造

Uses · 3 件

Used as insect repellent; No longer registered with the EPA for use in the US, cancelled; [HSDB]

The active ingredient is no longer contained in any registered pesticide products ... "cancelled."

INSECT REPELLENT

Methods of ManufacturingPRODUCED BY THE CONDENSATION OF BUTA-1,3-DIENE WITH 2-FURALDEHYDE (US PATENTS 2683511; 2934471)...
Formulations/Preparations · 4 件

USED IN COMBINATION WITH OTHER REPELLENTS SUCH AS DEET & MGK REPELLENT 326 OR TOXICANTS IN LIQUID & PRESSURIZED SPRAYS.

USED AT 0.5% TO 1.25% BY WT WITH DIETHYLTOLUAMIDE & OTHER COMPOUNDS IN REPELLENTS FOR PERSONAL USE. USED AT 0.2% TO 0.25% WITH PYRETHRINS IN SPRAYS FOR PETS & SHOW ANIMALS & HORSES.

ACTIVE INGREDIENT IN WATER EMULSION OR OIL SPRAYS USED IN INSECT REPELLENTS (FINAL RECOMMENDED CONCN 0.2-0.4%).

A typical formulation contains 0.075% pyrethins, 0.15% piperonyl butoxide, and 1% 2,3:4,5-di(2-butenyl)tetrahydrofurfural.

Household ProductsInformation on 2 consumer products that contain 2,3,4,5 Bis(2-butylene) tetrahydro 2-furaldehyde in the following categories is provided:
Use ClassificationCosmetics -> Viscosity controlling; Antioxidant
General Manufacturing Information · 3 件

4a(4H)-Dibenzofurancarboxaldehyde, 1,5a,6,9,9a,9b-hexahydro-: ACTIVE

IT IS AN INSECT REPELLENT EFFECTIVE AGAINST COCKROACHES, STABLE & HORN FLIES, MOSQUITOES & GNATS. ITS MAIN USES NOW ARE IN PET SPRAYS & IN REPELLENTS FOR PERSONAL USE IN COMBINATION WITH OTHER MATERIALS. IT IS NO LONGER RECOMMENDED FOR USE ON MILK- OR MEAT-PRODUCING ANIMALS.

The pesticide is no longer an active ingredient in any registered pesticide products. Therefore, EPA is characterizing it as cancelled.

応用分野

使用MGK 11 is an insect repellent most commonly used commercially as a mosquito repellent.

関連反応

2 件
反応記録を作成
HRID 73724 の反応式
HRID 73724生成物としてuspto-grants-2014_09
HRID 1399474 の反応式
HRID 1399474生成物としてuspto-grants-2014_12

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
126-15-8
PubChem CID
31341
DTXSID
DTXSID3041320
UNII
C62PHK07EV
EC Number
204-773-7
Nikkaji
J5.380E
融点
-80 ℃ · -80℃
沸点
307 ° · bp 307°
比重(密度)
420 · d420 1.10
屈折率
20 · n20/D 1.520-1.530
闪点
154 °C · 154 °C
貯蔵温度
-20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
溶解性
クロロホルム(微量)、メタノール(微量)
外見
油
色
淡黄色の液体
安定性
空気に敏感
化粧品成分の機能
抗酸化物質粘度制御
LogP
2.29 · 2.290 (est)
EPAの化学物質情報
2 · 2,3:4,5-Bis(2-butylene)tetrahydro-2-furaldehyde (126-15-8)
Hazard Classes and CategoriesAquatic Chronic 2 (100%)

安全と保護具

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.

Protective Action Criteria (PAC) · 3 件

7.5 [mg/m3]

83 [mg/m3]

500 [mg/m3]

毒性情報

Non-Human Toxicity ExcerptsIN 90-DAY FEEDING TRIALS RATS RECEIVING 20000 MG/KG DIET SUFFERED NO GROSS ILL-EFFECT.
Non-Human Toxicity ValuesLD50 Rat oral 2 g/kg

法規制情報

TSCA Requirements · 2 件

Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, use, and exposure to EPA as cited in the preamble in 51 FR 41329.

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. /4a(4H)-Dibenzofurancarboxaldehyde,1,5a,6,9,9a,9b-hexahydro/ is included on this list.

FIFRA Requirements · 1 件

As the federal pesticide law FIFRA directs, EPA is conducting a comprehensive review of older pesticides to consider their health and environmental effects and make decisions about their future use. Under this pesticide reregistration program, EPA examines health and safety data for pesticide active ingredients initially registered before November 1, 1984, and determines whether they are eligible for reregistration. In addition, all pesticides must meet the new safety standard of the Food Quality Protection Act of 1996. Pesticides for which EPA had not issued Registration Standards prior to the effective date of FIFRA, as amended in 1988, were divided into three lists based upon their potential for human exposure and other factors, with List B containing pesticides of greater concern and List D pesticides of less concern. Bis(2-butylene)tetrahydro-2-furaldehyde is found on List C. Case No: 3127; Pesticide type: insecticide; Case Status: No products containing the pesticide are actively registered ... The case /is characterized/ as "cancelled." Under FIFRA, pesticide producers may voluntarily cancel their registered products. EPA also may cancel pesticide registrations if registrants fail to pay required fees or make/meet certain reregistration commitments, or if EPA reaches findings of unreasonable adverse effects.; Active ingredient (AI): Bis(2-butylene)tetrahydro-2-furaldehyde; AI Status: The active ingredient is no longer contained in any registered pesticide products ... "cancelled."

安全データ

tsca
TSCA listed
rtecs
HP5075000
毒性
LD50 orl-rat: 2500 mg/kg MEIEDD 10,1170,83
有毒物質データの
126-15-8(Hazardous Substances Data)

上流・下流製品情報

上流原料

フルフラール1,3-ブタジエン

サプライヤー21 社

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