基本情報
- 標準SMILES
C=CC1(C)CO1- InChIKey
FVCDMHWSPLRYAB-UHFFFAOYSA-N- 分子式
- C5H8O
- 平均分子量
- 84.12 g/mol
- 単同位体質量
- 84.05751488
概要
Isoprene oxide is a clear colorless liquid. (NTP, 1992)
名称と識別子
- 優先名称
- 2-Methyl-2-vinyloxirane
- IUPAC
- 2-ethenyl-2-methyloxirane
- 現地名
- 3,4-エポキシ-3-メチル-1-ブテン
- 英語名
- ISOPRENE MONOXIDE
- 分子式
- C5H8O
- 分子量
- 84.12
名称と別名
名称をさらに表示
データベース識別子
- CAS
1838-94-4- PubChem CID
- 92166
- DTXSID
DTXSID701031061- UNII
- O364AQJ1K5
- EC Number
- 628-136-1
- Nikkaji
- J306.060H
物性
構造計算による物性
- XLogP
- 0.7
- 極性表面積
- 12.5 Ų
- 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
- 6
- 形式電荷
- 0
- 複雑度
- 78
実験および物理化学的性質
Physical Description
Isoprene oxide is a clear colorless liquid. (NTP, 1992)
Clear colorless liquid; [CAMEO]
物理化学的性質
- 沸点
- 79.5 · 79.5-80.5 °C(lit.)
- 比重(密度)
- 0.857 g/mL · 0.857 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.416(lit.)
- 闪点
- 18 °F · 18 °F
- 貯蔵温度
- 2 · 2-8°C
- 外見
- 液体
- 色
- 無色
- 水溶解度
- 水にわずかに溶ける。
- BRN
- 104216 · 104216
- InChI
- 1S/C5H8O/c1-3-5(2)4-6-5/h3H,1,4H2,2H3
- InChIKey
- FVCDMHWSPLRYAB-UHFFFAOYSA-N
- SMILES
- CC1(CO1)C=C
- CAS データベース
- 1838 · 1838-94-4
- EPAの化学物質情報
- 2 · Oxirane, 2-ethenyl-2-methyl- (1838-94-4)
安全と法規制
GHS分類
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Reactivity Profile
Epoxides are highly reactive. They polymerize in the presence of catalysts or when heated. These polymerization reactions can be violent. Compounds in this group react with acids, bases, and oxidizing and reducing agents. They react, possibly violently with water in the presence of acid and other catalysts.
安全と保護具
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: When working with this chemical, wear a NIOSH-approved full face chemical cartridge respirator equipped with the appropriate organic vapor cartridges. If that is not available, a half face respirator similarly equipped plus airtight goggles can be substituted. However, please note that half face respirators provide a substantially lower level of protection than do full face respirators. (NTP, 1992)
安全データ
- wgk
- 3
- ridadr
- UN 1993 3/PG 2
- hs_code
- 2910900090
- risk_code
- 11-36/37/38
- hazard_code
- F,Xi
- safety_code
- 16-26-36/37/39
- hazard_class
- 3
- packing_group
- II
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 3 - Flammable liquids
化学と産業
応用分野
使用Isoprene monoxide is used as a pharmaceutical intermediate.
一般的な説明Clear colorless liquid.
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