CAS 3973-18-0 2-Propynoxyethanol (HCID 77596)

名称と識別子

優先名称: 2-Propynoxyethanol
IUPAC: 2-prop-2-ynoxyethanol
現地名: 2-(2-プロピニルオキシ)エタノール
英語名: Propynol ethoxylate
分子式: C5H8O2
分子量: 100.12

名称と別名

3973-18-0Ethanol, 2-(2-propynyloxy)-2-(Prop-2-yn-1-yloxy)ethanol2-Propynoxyethanol2-(2-Propyn-1-yloxy)ethanol2-(2-Propynyloxy)ethanolEthylene glycol monopropargyl ether2-(Propargyloxy)ethanol3-(2-hydroxyethoxy)-1-propyneUNII-2EQ7D0F9DREthanol, 2-(2-propyn-1-yloxy)-2EQ7D0F9DR

名称をさらに表示

2-(2-プロピニルオキシ)エタノール3-オキサ-5-ヘキシン-1-オールβ-ヒドロキシエトキシプロピン-3プロピノールエトキシラートプロピノールエトキシラープロピノールエトキシラート 90%PME2-(prop-2-yn-1-yloxy)ethan-1-olCOBethoxyL2-(prop-2-ynyloxy)ethanolpropargyl alcohol ethoxylateCSTB

4-Oxa-1-hexyn-6-olEINECS 223-601-1DTXSID9044665RefChem:89342DTXCID7024665223-601-1GHGCQQRMJCSIBQ-UHFFFAOYSA-NPropynol ethoxylate

データベース識別子

CAS: 3973-18-0
PubChem CID: 77596
DTXSID: DTXSID9044665
UNII: 2EQ7D0F9DR
EC Number: 223-601-1
Nikkaji: J113.065J

物性

構造計算による物性

XLogP: -0.5
極性表面積: 29.5 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 7
形式電荷: 0
複雑度: 69

物理化学的性質

沸点: 80 · 80-90 °C(Press: 12-14 Torr)
比重(密度): 1.0261 · 1.0261
屈折率: 1.4502 · 1.4502
貯蔵温度: -20 °C · Sealed in dry,Store in freezer, under -20°C
溶解性: クロロホルム（少量）、酢酸エチル（少量）
外見: 油
酸解離定数(Pka): 14.22 · 14.22±0.10(Predicted)
色: 無色～淡黄色
安定性: 光に敏感
InChI: InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h1,6H,3-5H2
InChIKey: GHGCQQRMJCSIBQ-UHFFFAOYSA-N
SMILES: C(O)COCC#C
CAS データベース: 3973 · 3973-18-0(CAS DataBase Reference)
EPAの化学物質情報: 2 · Ethanol, 2-(2-propynyloxy)- (3973-18-0)

化学的性質

化学的特性Propynol ethoxylate(PME) is a clear colourless to pale yellow oil.

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 6.1% (10 of 163) of reports.

Danger

H302 (81%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (64.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (29.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H330 (64.4%): Fatal if inhaled [Danger Acute toxicity, inhalation]；H332 (13.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (65.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H361f (64.4%): Suspected of damaging fertility [Warning Reproductive toxicity]；H373 (64.4%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P203, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P320, P330, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 163 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 10 of 163 reports by companies.；There are 8 notifications provided by 153 of 163 reports by companies with hazard statement code(s).；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

Regulatory Information · 2 件

Chemical: Ethanol, 2-(2-propynyloxy)-

Ethanol, 2-(2-propynyloxy)-: 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.

Hazard Classes and CategoriesAcute Tox. 4 (81%)；Eye Dam. 1 (64.4%)；Eye Irrit. 2 (29.4%)；Acute Tox. 2 (64.4%)；Acute Tox. 4 (13.5%)；STOT SE 3 (65.6%)；Repr. 2 (64.4%)；STOT RE 2 (64.4%)

法規制情報

Regulatory Information · 2 件

Chemical: Ethanol, 2-(2-propynyloxy)-

Ethanol, 2-(2-propynyloxy)-: 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.

安全データ

wgk: WGK 1
tsca: TSCA listed
hs_code: 2909498090
risk_code: 36
hazard_code: Xi
safety_code: 26
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationEthanol, 2-(2-propyn-1-yloxy)-: ACTIVE

応用分野

使用Propynol Ethoxylate is an intermediate and it is shown to be used in the design and synthesis of a tag-free chemical probe for photoafiinity labeling.