1-ナフタレン酢酸エチル

alpha-Naphthaleneacetic acid, ethyl ester

HCID 62428CAS 2122-70-5

部分構造検索類似構造を探す

基本情報

標準SMILES: CCOC(=O)Cc1cccc2ccccc12
InChIKey: XIDPSKQLXKCVQN-UHFFFAOYSA-N
分子式: C14H14O2
平均分子量: 214.26 g/mol
単同位体質量: 214.09937969

名称と識別子

優先名称: alpha-Naphthaleneacetic acid, ethyl ester
IUPAC: ethyl 2-naphthalen-1-ylacetate
現地名: 1-ナフタレン酢酸エチル
英語名: Ethyl 1-naphthaleneacetate
分子式: C14H14O2
分子量: 214.26

名称と別名

Ethyl 1-naphthaleneacetate2122-70-5Ethyl 1-naphthylacetate1-Naphthaleneacetic acid, ethyl esterCaswell No. 589AADTXSID3034583alpha-Naphthaleneacetic acid, ethyl ester1-Naphththaleneacetic acid, ethyl ester4OV7F7186VEINECS 218-332-1NSC 74497NSC-74497

名称をさらに表示

1-ナフタレン酢酸エチル1-ナフタレン酢酸エチルナフタレン-1-酢酸エチル(1-ナフチル)酢酸エチル2-(1-ナフチル)酢酸エチル1-ナフチル酢酸エチル1-ナフタレン酢酸エチルエステルエチル 2-(ナフタレン-1-イル)アセタートAKOS AU36-M550naa,ethylesterEthyl 1-naphthaleneaEthyl 1-NaphthylactetateEthyl 2-(1-Naphthyl)acetateETHYL-1-NAPHTHALENE ACETATE1-Naphthylacetate ethyl esterethyl 2-naphthalen-1-ylacetateethyl 2-naphthalen-1-ylethanoate

EPA Pesticide Chemical Code 056008BRN 1106730AI3-02254(1-NAPHTHYL)ACETIC ACID ETHYL ESTERDTXCID1014583NAPHTHALENEACETIC ACID, ETHYL ESTERNAPHTHALENEACETIC ACID ETHYL ESTER, 1-RefChem:555890

データベース識別子

CAS: 2122-70-5
PubChem CID: 62428
DTXSID: DTXSID3034583
ChEMBL: CHEMBL3183469
UNII: 4OV7F7186V
EC Number: 218-332-1
Nikkaji: J85.501D

物性

構造計算による物性

XLogP: 3.4
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: 4
重原子数: 16
形式電荷: 0
複雑度: 237

実験および物理化学的性質

Melting Point88.5 °C

Physical DescriptionSolid

物理化学的性質

融点: 88.5 °C · 88.5°C
沸点: 231 °C · 231 °C / 32mmHg
比重(密度): 1 · 1,11 g/cm3
屈折率: 1.578 · 1.5780-1.5820
貯蔵温度: Sealed in dry,Room Temperature
溶解性: クロロホルム、酢酸エチル
外見: 油
色: 無色透明
CAS データベース: 2122 · 2122-70-5(CAS DataBase Reference)
EPAの化学物質情報: 1 · Ethyl 1-naphthaleneacetate (2122-70-5)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H412 (50%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAquatic Chronic 3 (50%)

毒性情報

RAIS Toxicity Values · 2 件

0.25

OPP

安全データ

tsca: TSCA listed
rtecs: QJ0948000
hs_code: 2916399090
risk_code: 36/37/38
消防法: 危-4-3-III
safety_code: 26-36/37/39

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

Household ProductsInformation on 1 consumer products that contain alpha-Naphthaleneacetic acid, ethyl ester in the following categories is provided:；• Landscaping/Yard

General Manufacturing Information1-Naphthaleneacetic acid, ethyl ester: INACTIVE