基本情報
- CAS
23939-55-1- 標準SMILES
CC1C=CC2C(=O)OC(=O)C2C1- InChIKey
JDBDDNFATWXGQZ-UHFFFAOYSA-N- 分子式
- C9H10O3
- 平均分子量
- 166.17 g/mol
- 単同位体質量
- 166.06299418
名称と識別子
- 優先名称
- Tetrahydro-4-methylphthalic anhydride
- IUPAC
- 5-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione
名称と別名
Tetrahydro-4-methylphthalic anhydrideRefChem:897138251-823-9SCHEMBL597812methyltetrahydrophtalic anhydride5-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dioneDTXSID0087303423939-55-1DB-358465
データベース識別子
- CAS
23939-55-1、34090-76-1- PubChem CID
- 12726604
- DTXSID
DTXSID00873034- EC Number
- 251-823-9
- Nikkaji
- J169.050G
物性
構造計算による物性
- XLogP
- 1.2
- 極性表面積
- 43.4 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 0
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 267
安全と法規制
GHS分類
GHS Classification
Danger
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
Danger
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Hazard Traits - Respiratory Toxicity
Status: Active Update: 10-01-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/2190
Hazard Classes and Categories
Skin Sens. 1 (100%)
Eye damage - category 1
Eye Dam. 1
関連反応
2 件
化合物ノート
読み込み中…