基本情報
- CAS
25168-26-7- 標準SMILES
CC(C)CCCCCOC(=O)COc1ccc(Cl)cc1Cl- InChIKey
BBPLSOGERZQYQC-UHFFFAOYSA-N- 分子式
- C16H22Cl2O3
- 平均分子量
- 333.2 g/mol
- 単同位体質量
- 332.0945999
概要
See also: 2,4-D isooctyl esters (annotation moved to); Ded-weed LV-69 67 percent 2,4-D isooctyl ester (annotation moved to).
名称と識別子
- 優先名称
- 2,4-Dichlorophenoxyacetic acid isooctyl ester
- IUPAC
- 6-methylheptyl 2-(2,4-dichlorophenoxy)acetate
- 現地名
- 6-メチルヘプチル=(2,4-ジクロロフェニルオキシ)アセタート
- 英語名
- 2,4-D isooctyl ester
- 分子式
- C16H22Cl2O3
- 分子量
- 333.25
名称と別名
2,4-Dichlorophenoxyacetic acid isooctyl ester2,4-D isooctylisooctyl 2,4-DRefChem:4431202,4-D ISOOCTYL ESTER25168-26-76-methylheptyl 2-(2,4-dichlorophenoxy)acetate2,4-D-isoctylSilvapron DAgroxone 5Isooctyl 2,4-dichlorophenoxyacetateIsooctyl (2,4-dichlorophenoxy)acetate
名称をさらに表示
ウィードトリンII6-メチルヘプチル=(2,4-ジクロロフェニルオキシ)アセタート2,4-ジクロロフェノキシ酢酸6-メチルヘプチル2,4-Dイソオクチル2,4-D-iso-octyl ester (technical)(2,4-dichlorophenoxy)-aceticaciisooctylesteragroxone5silvaprondestasol[qr]hedonal[qr]reedlv2,4-desteronge[qr]silvapron[qr]
2,4-D-isoctyl [ISO]M7GLT14C7BAcetic acid, (2,4-dichlorophenoxy)-, isooctyl esterAcetic acid, 2-(2,4-dichlorophenoxy)-, isooctyl esterWeedtrine-II3035-67-4Esteron GEAgro-D-Ester
データベース識別子
物性
構造計算による物性
- XLogP
- 6.3
- 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
- 10
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 297
実験および物理化学的性質
PesticidesPesticides -> Herbicides, Chlorophenoxy
LogP5.73
Vapor Pressure0.00000706 [mmHg]
Physical DescriptionYellow-brown liquid; [HSDB] Brown-yellow liquid; [MSDSonline]
物理化学的性質
- 融点
- 12 °C · 12°C
- 沸点
- 449.37 °C · 449.37°C (rough estimate)
- 比重(密度)
- 1.1506 · 1.1506 (rough estimate)
- 屈折率
- 1.581 · 1.5810 (estimate)
- 闪点
- 48 °C · 48°C
- 水溶解度
- 0.1 g/100 · <0.1 g/100 mL で 21 ºC
- Henry's Law Constant
- 1 · 1.0×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- CAS データベース
- 25168 · 25168-26-7(CAS DataBase Reference)
- EPAの化学物質情報
- 2 · 2,4-D isooctyl ester (25168-26-7)
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
Warning
H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 70 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationAcetic acid, (2,4-dichlorophenoxy)-, isooctyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Acetic acid, (2,4-dichlorophenoxy)-, isooctyl ester: Human health tier I assessment
Hazards Summary
A skin and eye irritant; The esters of 2,4-D are hydrolyzed rapidly in the body to 2,4-D; Do not accumulate in mammals; Plasma half-life is about 1 day; Analysis of 2,4-D as esters and amine salts in 1982 found the esters more highly contaminated with dioxins; [HSDB] Now referred to as 2,4-D 2-Ethylhexyl ester, CAS# 1928-43-4; [EPA REDs] See 2,3,7,8-Tetrachlorodibenzo-p-dioxin. See 2,4D.
Hazard Classes and CategoriesAcute Tox. 4 (95.7%)
毒性情報
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Acute Toxicity Link
化学と産業
用途と製造
Uses
2,4-D and derivatives: Used as herbicide for pastures, rangelands, cereals, corn, rice, nuts, turf, and aquatic, industrial, and commercial areas; [HSDB]
No longer registered as a pesticide for use in the US; [HSDB]
Farming (Pesticides) [Category: Industry]
Household ProductsInformation on 2 consumer products that contain Isooctyl ester of 2,4,-D acid in the following categories is provided:
Use ClassificationHERBICIDES
応用分野
使用2,4-D isooctyl ester is a useful biochemical for proteomics research.
一般的な説明White crystals in commerce, a brown or dark brown liquid.
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