基本情報
- CAS
141-03-7- 標準SMILES
CCCCOC(=O)CCC(=O)OCCCC- InChIKey
YUXIBTJKHLUKBD-UHFFFAOYSA-N- 分子式
- C12H22O4
- 平均分子量
- 230.3 g/mol
- 単同位体質量
- 230.15180918
概要
Dibutyl succinate is a member of dicarboxylic acids and O-substituted derivatives and a diester.
名称と識別子
- 優先名称
- Dibutyl succinate
- IUPAC
- dibutyl butanedioate
- 現地名
- こはく酸ジブチル
- 英語名
- Dibutyl succinate
- 分子式
- C12H22O4
- 分子量
- 230.3
名称と別名
DIBUTYL SUCCINATE141-03-7Dibutyl butanedioateTabutrexDibutylsuccinateSuccinic acid di-n-butyl esterDi-n-butyl succinateTabatrexButanedioic acid, dibutyl esterButyl butanedioateSuccinic acid dibutyl ester1,4-dibutyl butanedioate
名称をさらに表示
こはく酸ジブチルブタン二酸ジブチルタブトレックスタバトレックスジブチル=スクシナートジブチルサクシネトジブチルサクシネ-トこはく酸ジ-N-ブチル標準品ジブチルサクシネート標準品Butyl succinateent666TabetrexTABATREX(R)
DNBSSuccinic acid, dibutyl esterButanedioic acid dibutyl esterButanedioic acid, 1,4-dibutyl esterENT 666NSC 1502MFCD00040495DTXSID7021998
データベース識別子
- CAS
141-03-7- PubChem CID
- 8830
- DTXSID
DTXSID7021998- ChEMBL
CHEMBL1788388- ChEBI
物性
構造計算による物性
- XLogP
- 2.9
- 極性表面積
- 52.6 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
- 11
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 179
実験および物理化学的性質
SpringerMaterials PropertiesBoiling point
PesticidesPesticides -> Insect Repellents
Density0.9768 @ 20 °C/4 °C
Flavoring AgentsEU Flavoring substances
Color/FormColorless liquid
Solubility
MISCIBLE WITH MOST ORG SOLVENTS INCLUDING PETROLEUM OILS
Soluble in ethanol, ethyl ether, and benzene.
In water, 2.30X10+2 mg/l, temperature not specified.
CorrosivityNON-CORROSIVE
Flash Point275 °F (Open Cup)
Boiling Point274.5 °C
DecompositionWhen heated to decomposition it emits acrid smoke and irritating fumes.
Melting Point-29.0 °C
Refractive IndexIndex of refraction: 1.4299 @ 20 °C/D
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 99.5% (193 of 194) of all reports.
Not Classified
Aggregated GHS information provided per 194 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Butanedioic acid, dibutyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Butanedioic acid, dibutyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazards Summary
No unreasonable adverse effects, but organic-vapor respirator recommended during mixing, loading, and application because of concern about chemical pneumonia for handlers; Only the methyl esters of fatty acids were assessed. The other 5 products are not registered and are not being supported for reregistration; [Reference #1] May cause irritation; [MSDSonline]
EPA Safer ChemicalChemical: Dibutyl succinate
FIFRA Requirements
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. Dibutyl succinate is found on List D. Case No: 4005; Pesticide type: insecticide, herbicide, antimicrobial; Case Status: OPP is reviewing data from the pesticide's producers regarding its human health and/or environmental effects, or OPP is determining the pesticide's eligibility for reregistration and developing the Reregistration Eligibility Decision (RED) document.; Active ingredient (AI): Dibutyl succinate; AI Status: The active ingredient is no longer contained in any registered pesticide products ... "cancelled."
化学と産業
薬理情報
ATC Code
P - Antiparasitic products, insecticides and repellents
QP - Antiparasitic products, insecticides and repellents
Absorption, Distribution and ExcretionNOT DETECTABLE IN THE MILK OF A COW SPRAYED DAILY FOR 3 WK @ SEVERAL TIMES THE RECOMMENDED DOSAGE.
用途と製造
Uses
Used as insect repellent primarily against biting flies of cattle and also against household ants and roaches; [HSDB]
Farming (Pesticides) [Category: Industry]
For Dibutyl succinate (USEPA/OPP Pesticide Code: 077802) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./
Insect repellent especially against biting flies of cattle and household ants and roaches. /Former use/
Methods of ManufacturingPrepn from butyl alcohol and succinic acid: Vogel, J Chem Soc 1948, 624.
Formulations/Preparations
USEPA/OPP Pesticide Code 077802; Trade Names: Tabutrex.
IT IS NORMALLY FORMULATED WITH OLEIC ACID TO PROLONG ACTIVITY; EMULSIFIABLE CONCENTRATE (20%); PETROLEUM DISTILLATE SPRAY (2%).
Use Classification
EPA Safer Chemical Functional Use Classes -> Solvents
Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern
General Manufacturing Information
Butanedioic acid, 1,4-dibutyl ester: ACTIVE
... INTRODUCED ABOUT 1955 BY GLENN CHEMICAL COMPANY, AS AN INSECT REPELLENT.
IN LIVESTOCK INSECTICIDE SPRAYS OR AEROSOLS (2%), BACKRUBBER OILS (1%), OR "STICKS" (5%) AS A REPELLENT FOR FACE FLIES, BITING FLIES, & HOUSEFLIES.
関連反応
2 件
化合物ノート
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