2-Methoxypropene (HCID 8300)

名称と識別子

優先名称: 2-Methoxypropene
IUPAC: 2-methoxyprop-1-ene
現地名: イソプロペニルメチルエーテル
英語名: 2-Methoxypropene
分子式: C4H8O
分子量: 72.11

名称と別名

2-Methoxypropene116-11-02-METHOXYPROP-1-ENE1-Propene, 2-methoxy-Isopropenyl methyl etherMethyl isopropenyl etherEther, isopropenyl methylPropene, 2-methoxy-15WBG0JT6BDTXSID3051591RefChem:474670DTXCID7030143

名称をさらに表示

イソプロペニルメチルエーテルメチルα-メチルビニルエーテル2-メトキシプロペン2-メトキシ-2-プロペンメチルイソプロペニルエーテル(1-メチルエテニル)メチルエーテルメチル(1-メチルエテニル)エーテルメチル1-プロペン-2-イルエーテルメチル(1-メチルビニル)エーテル2-メトキシ-1-プロペン2‐メトキシプロペン2-メトキシプロプ-1-エン2-メトキシプロパ-1-エンMOP2-Methoxyproene2-METHYOXYPROPENECH2=C(CH3)OCH3CH3C(OCH3):CH22-Methoxyprope

204-125-32-Methoxy-1-propeneMFCD00014929HSDB 1124EINECS 204-125-3UNII-15WBG0JT6BBRN 17346352-methoxypropen

データベース識別子

CAS: 116-11-0
PubChem CID: 8300
DTXSID: DTXSID3051591
UNII: 15WBG0JT6B
EC Number: 204-125-3
Nikkaji: J27.121G

物性

構造計算による物性

XLogP: 1.2
極性表面積: 9.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 5
形式電荷: 0
複雑度: 38

実験および物理化学的性質

Vapor Pressure517.0 [mmHg]

Physical DescriptionLiquid; bp = 34-36 deg C; [MSDSonline]

Kovats Retention Index482；483

物理化学的性質

融点: 25 °C · 25°C
沸点: 34 · 34-36 °C (lit.)
比重(密度): 0.753 g/mL · 0.753 g/mL at 25 °C (lit.)
蒸気圧: 27.96 psi · 27.96 psi ( 55 °C)
屈折率: 20 · n20/D 1.382(lit.)
闪点: 21 °F · −21 °F
貯蔵温度: 2 · 2-8°C
溶解性: クロロホルム
外見: 液体
色: 無色透明
PH: 7 · 7 (H2O)
水溶解度: 無視できる
BRN: 1734635 · 1734635
InChI: 1S/C4H8O/c1-4(2)5-3/h1H2,2-3H3
InChIKey: YOWQWFMSQCOSBA-UHFFFAOYSA-N
SMILES: COC(C)=C
LogP: 1.7 at · 1.7 at 21℃ and pH8.1-8.4
CAS データベース: 116 · 116-11-0(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-Propene, 2-methoxy-(116-11-0)
EPAの化学物質情報: 1 · 1-Propene, 2-methoxy- (116-11-0)

化学的性質

化学的特性clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H224 (100%): Extremely flammable liquid and vapor [Danger Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H412 (22.1%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P264, P270, P273, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 68 reports by companies from 6 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

Regulatory Information · 2 件

Status: Active Update: 25-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/10997

1-Propene, 2-methoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay form explosive peroxides; An irritant; [MSDSonline]

Hazard Classes and CategoriesFlam. Liq. 1 (100%)；Acute Tox. 4 (100%)；Aquatic Chronic 3 (22.1%)

毒性情報

Toxicity DataLCLo (rat) = 64,000 ppm/4h

法規制情報

Regulatory Information · 2 件

Status: Active Update: 25-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/10997

1-Propene, 2-methoxy-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F: 8-10
wgk: 1
tsca: TSCA listed
rtecs: UD0800000
ridadr: UN 1993 3/PG 1
毒性: rabbit,LD50,skin,> 20mL/kg (20mL/kg),American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
hs_code: 29091990
risk_code: 12-19-22-11
消防法: 危-4-特-I
hazard_code: F+,Xn,F
safety_code: 3-16-29-33-7/9-9-18
hazard_class: 3
packing_group: I
自然発火温度: 374 °F
Hazard Classifications: Acute Tox. 4 OralFlam. Liq. 1
ストレージクラス: 3 - Flammable liquids
有毒物質データの: 116-11-0(Hazardous Substances Data)

化学と産業

用途と製造

Uses · 2 件

Used as a laboratory reagent and an intermediate for 2-methoxyallyl bromide (an alkylating agent); [HSDB]

LABORATORY REAGENT (HYDROXYL-PROTECTING); CHEM INT FOR 2-METHOXYALLYL BROMIDE (AN ALKYLATING AGENT)

U.S. Exports · 2 件

(1977) No Data

(1979) No Data

U.S. Imports · 2 件

(1977) No Data

(1979) No Data

U.S. Production · 2 件

(1977) NOT PRODUCED COMMERCIALLY IN US

(1979) NOT PRODUCED COMMERCIALLY IN US

Methods of ManufacturingPROBABLY BY REACTION OF ACETONE AND METHANOL, FOLLOWED BY DEHYDRATION WITH SULFURIC ACID

General Manufacturing Information1-Propene, 2-methoxy-: ACTIVE

応用分野 · 1 件

使用2-Methoxypropene is used in the synthesis of Macrolactin A, a 24-member macrolide typically employed as an antibiotic. Also used in the synthesis of phenylalanine derivatives used as α4β1 and α4β7 receptor antagonists in the treatment of allergic asthma.

上流・下流製品情報

上流原料

Ethanone, 1-(3-methoxy-2,3-dimethyl-2-oxetanyl)- (9CI)Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 1,1-dimethylethyl ester Butaneperoxoic acid, 2,2,3,3,4,4,4-heptafluoro-, 1,1-dimethylethyl ester ジアセチルジベンジル炭酸ジメチルプロパジエンピリジン 2,2-ジメトキシプロパンブロモメタンメチルトリフェニルホスホニウムブロミド

下流製品

Teprenone Impurity 20 ワルファリン 2,2-ジメチル-1,3-ジオキサン-5-オール 1,2:5,6-ジ-O-イソプロピリデン-D-マンニトール 5-ケトヘキサンニトリル 4-クロロメチル-2,2-ジメチル-1,3-ジオキソラン

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

イソプロペニルメチルエーテル

基本情報