酢酸イソプロペニル

酢酸イソプロペニル · イソプロペニル=アセタート · 酢酸1-メチルエテニル · 1-プロペン-2-オール=アセタート · 2-アセトキシ-1-プロペン · 1-プロペン-2-オールアセタート · 酢酸1-メチルビニル · 酢酸ISO-プロペニル

https://huagongshe.com/ja/chemical/7916

識別子と物理属性

CAS No.	108-22-5
分子式	C5H8O2
平均分子量	100.12 g/mol
単同位体質量	100.0524295 g/mol
SMILES	C=C(C)OC(C)=O
InChIKey	HETCEOQFVDFGSY-UHFFFAOYSA-N
PubChem CID	7916
ChEMBL	CHEMBL1385681
ChEBI	CHEBI:173340
EC No.	203-562-7
DTXSID	DTXSID3031492
現地名	酢酸イソプロペニル

化学・物理的性質

XLogP	1
極性表面積	26.3
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	2
重原子数	7
形式電荷	0
複雑度	94.3
物質分類	Other Classes -> Esters, OtherFlammable agents - 3rd degree
SpringerMaterials Properties	Boiling point
食品添加物	FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
密度	0.9090 g/cu cm at 20 °C0.922 g/mL at 20 °C 0.909 g/mL at 25 °C (lit.)
香味料	EU Flavoring substances
Color/Form	WATER WHITE LIQUID
溶解度	Soluble in ethanol and acetone, very soluble in ethyl ether.Solubility in water 3.25% by weight.34g/リットル34g/L（20℃）
引火点	60 °F (NFPA, 2010)15.5 °C60 °F (16 °C) (CLOSED CUP)66 °F
沸点	97 °C94 °C (lit.)
Decomposition	When heated to decomposition it emits acrid smoke and irritating fumes.
融点	-92.9 °C-93 °C
蒸気圧	45.2 [mmHg]45 mm Hg at 25 °C23 hPa (20 °C)
FEMA	4152 \| ISOPROPENYL ACETATE
屈折率	n20/D 1.401(lit.)
貯蔵条件	Store below +30°C.
外観・状態	液体
色	無色透明～ごくわずかに黄色
pH	3 (34g/l, H2O, 20℃)
臭い	100.00%で。エーテルのような酢酸、フルーティーな甘いベリー、ブドウの皮
においのタイプ	フルーティーな
爆発限界	1.8%(V)
Merck	14,5203
JECFA Number	1835
BRN	1280347
ヘンリー定数	5.5×10-3 mol/(m3Pa) at 25℃, HSDB (2015)
InChI	1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3
InChIKey	HETCEOQFVDFGSY-UHFFFAOYSA-N
SMILES	CC(=C)OC(C)=O
LogP（分配係数）	1.28
CAS データベース	108-22-5(CAS DataBase Reference)
NISTの化学物質情報	1-Propen-2-ol, acetate(108-22-5)
EPAの化学物質情報	Isopropenyl acetate (108-22-5)

化学的特性

clear colorless to very slightly yellow liquid

安全性と法規制

GHS 分類	DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 300 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
規制情報	Chemical: 1-Propen-2-ol, acetateCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 16-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/17298Isopropenyl acetate: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
輸送ラベル（DOT）	Flammable Liquid
火災危険	Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)polymerization hazard]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
火災の可能性	...DANGEROUS FIRE RISK.
健康有害性	Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)polymerization hazard]:· May cause toxic effects if inhaled or absorbed through skin.
有害性の概要	A mild irritantNarcotic in high concentrations[Merck Index] May be toxic by inhalation and skin absorption[CAMEO] Inhalation of high concentrations can cause CNS depression[CHEMINFO] A mild to moderate irritant[MSDSonline] Isopropenyl acetate (UN2403) has warning of explosive polymerization[ERG 2016]
輸送番号・ガイド（DOT）	2403 129P
反応性グループ	Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters

用途

有機合成原料。

使用

Iodine in isopropenyl acetate is a unique catalyst for the acetylation of a variety of alcohols, phenols and amines under solvent free conditions. It is used as a solvent for cellulose, plastics, oil and fats. It is also a building block used for various organic synthesis.

一般的な説明

A clear colorless liquid. Flash point near 60°F. Boiling point near 200°F. Less dense than water. Vapors heavier than air. Used to make other chemicals.