基本信息
- 标准SMILES
C=C(C)OC- InChIKey
YOWQWFMSQCOSBA-UHFFFAOYSA-N- 分子式
- C4H8O
- 平均分子量
- 72.11 g/mol
- 单同位素质量
- 72.05751487
名称与标识
- 首选名称
- 2-Methoxypropene
- IUPAC
- 2-methoxyprop-1-ene
- 中文名
- 2-甲氧基丙烯
- 英文名
- 2-Methoxypropene
- 分子式
- C4H8O
- 分子量
- 72.11
名称与别名
2-Methoxypropene116-11-02-METHOXYPROP-1-ENE1-Propene, 2-methoxy-Isopropenyl methyl etherMethyl isopropenyl etherEther, isopropenyl methylPropene, 2-methoxy-15WBG0JT6BDTXSID3051591RefChem:474670DTXCID7030143
展开更多名称
2-甲氧基丙烯甲基异丙烯基醚2-甲氧基-1-丙烯邻苯二甲酸甲基油酰酯2-甲氧基丙烯(冷库)2-甲氧基丙烯 500G2-甲氧基丙烯, 含稳定剂2-甲氧基丙烯/甲基异丙烯基醚氨基己酸杂质4(邻苯二甲酸甲基油酰酯)2-甲氧基丙烯/2-MethoxypropeneMOP2-Methoxyproene2-METHYOXYPROPENECH2=C(CH3)OCH3CH3C(OCH3):CH22-Methoxyprope
204-125-32-Methoxy-1-propeneMFCD00014929HSDB 1124EINECS 204-125-3UNII-15WBG0JT6BBRN 17346352-methoxypropen
数据库标识
- CAS
116-11-0- PubChem CID
- 8300
- DTXSID
DTXSID3051591- UNII
- 15WBG0JT6B
- EC Number
- 204-125-3
- Nikkaji
- J27.121G
性质
结构计算性质
- XLogP
- 1.2
- 极性表面积
- 9.2 Ų
- 氢键供体
- 0
- 氢键受体
- 1
- 可旋转键
- 1
- 重原子
- 5
- 形式电荷
- 0
- 复杂度
- 38
实验与物化性质
Vapor Pressure517.0 [mmHg]
Physical DescriptionLiquid; bp = 34-36 deg C; [MSDSonline]
Kovats Retention Index482；483
物理化学性质
- 熔点
- 25 °C · 25°C
- 沸点
- 34 · 34-36 °C (lit.)
- 密度
- 0.753 g/mL · 0.753 g/mL at 25 °C (lit.)
- 蒸气压
- 27.96 psi · 27.96 psi ( 55 °C)
- 折射率
- 20 · n20/D 1.382(lit.)
- 闪点
- 21 °F · −21 °F
- 储存条件
- 2 · 2-8°C
- 溶解度
- Chloroform
- 形态
- Liquid
- 颜色
- Clear colorless
- PH值
- 7 · 7 (H2O)
- 水溶解性
- negligible
- 敏感性
- Light Sensitive
- 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 数据库
- 116 · 116-11-0(CAS DataBase Reference)
- NIST化学物质信息
- 1 · 1-Propene, 2-methoxy-(116-11-0)
- EPA化学物质信息
- 1 · 1-Propene, 2-methoxy- (116-11-0)
安全与法规
GHS分类
GHS Classification
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.
危害信息
Regulatory Information
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%)
毒理信息
Toxicity DataLCLo (rat) = 64,000 ppm/4h
法规信息
Regulatory Information
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
安全数据
- F
- 8-10
- wgk
- 1
- tsca
- TSCA listed
- 毒性
- rabbit,LD50,skin,> 20mL/kg (20mL/kg),American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
- RTECS号
- UD0800000
- 包装类别
- I
- 危险等级
- 3
- 存储类别
- 3 - Flammable liquids
- 安全说明
- 3-16-29-33-7/9-9-18
- 海关编码
- 29091990
- 自燃温度
- 374 °F
- 危险品标志
- F+,Xn,F
- 危险性类别
- Acute Tox. 4 OralFlam. Liq. 1
- 危险类别码
- 12-19-22-11
- 毒害物质数据
- 116-11-0(Hazardous Substances Data)
- 危险品运输编号
- UN 1993 3/PG 1
化学与工业
用途与制造
Uses
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
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
(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
应用领域
用途用作医药中间体
用途有机合成用保护剂
上下游产品信息
上游原料
下游产品
试剂价格
- I0303 · 25ML
- 2-甲氧基丙烯Isopropenyl Methyl Ether — 100元
- I0303 · 100mL
- 2-甲氧基丙烯2-Methoxypropene — 290元
供应商50 家
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