酢酸(Z)-9-ドデセニル

9-Dodecenyl acetate, (9Z)-

HCID 5363405

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 16974-11-1
標準SMILES: CC/C=C\CCCCCCCCOC(C)=O
InChIKey: MFFQOUCMBNXSBK-PLNGDYQASA-N
分子式: C14H26O2
平均分子量: 226.35 g/mol
単同位体質量: 226.19328007

概要

9Z-Dodecenyl acetate is a carboxylic ester.

名称と識別子

優先名称: 9-Dodecenyl acetate, (9Z)-
IUPAC: [(Z)-dodec-9-enyl] acetate
現地名: 酢酸(Z)-9-ドデセニル
英語名: Z-9-dodecen-1-yl acetate
分子式: C14H26O2
分子量: 226.35

名称と別名

16974-11-1(Z)-9-Dodecenyl acetate(Z)-9-Dodecen-1-ol acetateGrapemoneSonolureNomate ShootgardWPSB PheromoneBocep VITI9-Dodecen-1-ol, acetate, (Z)-(Z)-Dodec-9-enyl acetate(Z)-1-Acetoxy-9-dodecenecis-9-Dodecen-1-ol acetate

名称をさらに表示

(Z)-9-ドデセン-1-オールアセタート酢酸(Z)-9-ドデセニルrak1z-9-dda9Z-12Acbocepviti(z)-9-dodecenyl9Z-Dodecenyl acetatecis-9-dodecenylacetate(z)-9-dodecenylacetate9Z-Dodecen-1-ol acetate

cis-9-Dodecen-1-yl acetateCaswell No. 411Bcis-9-Dodecenyl acetate(Z)-9-Dodecen-1-yl acetate9-Dodecenyl acetate, (9Z)-EINECS 241-054-79-Dodecen-1-ol, acetate, (9Z)-EPA Pesticide Chemical Code 117701

データベース識別子

CAS: 16974-11-1
PubChem CID: 5363405
DTXSID: DTXSID6035524
ChEBI: CHEBI:179333
UNII: AWM7282GA1
EC Number: 241-054-7
Nikkaji: J653J

物性

構造計算による物性

XLogP: 4.8
極性表面積: 26.3 Å²
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: 11
重原子数: 16
形式電荷: 0
複雑度: 185

実験および物理化学的性質

LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]

Pesticides · 3 件

Attractants

Active substance -> EU Pesticides database: Approved

Pheromones, Insect attractants, Insecticides

物理化学的性質

沸点: 300.1 · 300.1±21.0℃ (760 Torr)
比重(密度): 0.881 · 0.881±0.06 g/cm3 (20 ºC 760 Torr)
屈折率: 1.4439 · 1.4439 (22℃)
闪点: 96.5 · 96.5±20.4℃
InChI: InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h4-5H,3,6-13H2,1-2H3/b5-4-
InChIKey: MFFQOUCMBNXSBK-PLNGDYQASA-N
SMILES: C(OC(=O)C)CCCCCCC/C=C\CC
LogP: 5.504 · 5.504 (est)
EPAの化学物質情報: -9 · (Z)-9-Dodecen-1-ol acetate (16974-11-1)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 0.8% (1 of 127) of reports.

Warning

H400 (12.6%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

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

Aggregated GHS information provided per 127 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Commission Regulation (EC) No 2229/2004

2008/127, Reg. (EU) 2017/195, Reg. (EU) 2021/745, Reg. (EU) 2022/1251, Reg. (EU) No 540/2011, Reg. (EU) No 918/2014, Reg. (EU)2020/1160

Hazard Classes and CategoriesAquatic Acute 1 (12.6%)

安全データ

tsca: TSCA listed
毒性: LD50 oral in rat: > 5gm/kg
化審法: 2-762

化学と産業

用途と製造

Use ClassificationPheromones, Insect attractants, Insecticides

General Manufacturing Information9-Dodecen-1-ol, 1-acetate, (9Z)-: ACTIVE

応用分野 · 1 件

使用(9Z)-Dodecen-1-ol Acetate is derived from 2-Decyn-1-ol (D228475), which is used in the synthesis of antitumor agents, isomers of Panaxytriol and Falcarinol (F101100). Also used in the synthesis of aromatase inhibitors used in the treatment of cancers, primarily breast and ovarian.

サプライヤー63 社

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毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

化合物ノート

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