基本情報
- 標準SMILES
C=Cc1ccccc1O- InChIKey
JESXATFQYMPTNL-UHFFFAOYSA-N- 分子式
- C8H8O
- 平均分子量
- 120.15 g/mol
- 単同位体質量
- 120.05751487
名称と識別子
- 優先名称
- 2-Ethenylphenol
- IUPAC
- 2-ethenylphenol
- 現地名
- エテニルフェノール
- 英語名
- vinylphenol
- 分子式
- C8H8O
- 分子量
- 120.14852
名称と別名
名称をさらに表示
データベース識別子
- CAS
31257-96-2、695-84-1- PubChem CID
- 135442
- DTXSID
DTXSID50873443- UNII
- I4M2EJN11W
- EC Number
- 250-539-2、857-581-6
- Nikkaji
- J134.600H
物性
構造計算による物性
- XLogP
- 2.3
- 極性表面積
- 20.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 1
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 98
実験および物理化学的性質
Kovats Retention Index
1141
2203
物理化学的性質
- EPAの化学物質情報
- Phenol, ethenyl- (31257-96-2)
安全と法規制
GHS分類
GHS Classification
Danger
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral];H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H334 (50%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P363, P403, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 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
化学と産業
サプライヤー26 社
関連反応
関連ノート
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