基本情報
- 標準SMILES
CCCCCCCCCCCCc1cc(C)cc(-n2nc3ccccc3n2)c1O- InChIKey
VQMHSKWEJGIXGA-UHFFFAOYSA-N- 分子式
- C25H35N3O
- 平均分子量
- 393.6 g/mol
- 単同位体質量
- 393.27801275
名称と識別子
- 優先名称
- 2-(2-Hydroxy-3-dodecyl-5-methylphenyl)benzotriazole
- IUPAC
- 2-(benzotriazol-2-yl)-6-dodecyl-4-methylphenol
- 現地名
- ベンゾトリアゾリルドデシルP-クレゾール
- 英語名
- 2-(2H-Benzothiazol-2-yl)-6-(dodecyl)-4-methylphenol
- 分子式
- C25H35N3O
- 分子量
- 393.57
名称と別名
名称をさらに表示
データベース識別子
- CAS
125304-04-3、23328-53-2- PubChem CID
- 86375
- DTXSID
DTXSID3051886- UNII
- A1TWE4ZIKJ
- EC Number
- 639-926-0
- Nikkaji
- J791.483K
物性
構造計算による物性
- XLogP
- 9.6
- 極性表面積
- 50.9 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 12
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 432
物理化学的性質
- 融点
- 350 °C · >350 °C(lit.)
- 沸点
- 414 ℃[at · 414℃[at 101 325 Pa]
- 比重(密度)
- 0.911 g/mL · 0.911 g/mL at 25 °C(lit.)
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 屈折率
- 20 · n20/D 1.574(lit.)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- 2 O: · H2O: <0.01ppm at20℃、不溶
- 水溶解度
- 130 ng/L · 130ng/L at 20℃
- 化粧品成分の機能
- 紫外線吸収剤
- InChI
- InChI=1S/C25H35N3O/c1-3-4-5-6-7-8-9-10-11-12-15-21-18-20(2)19-24(25(21)29)28-26-22-16-13-14-17-23(22)27-28/h13-14,16-19,29H,3-12,15H2,1-2H3
- InChIKey
- VQMHSKWEJGIXGA-UHFFFAOYSA-N
- SMILES
- N1(N=C2C=CC=CC2=N1)C1C=C(C=C(CCCCCCCCCCCC)C=1O)C
- LogP
- 8.9 at · 8.9 at 25℃
- CAS データベース
- 125304 · 125304-04-3(CAS DataBase Reference)
- EPAの化学物質情報
- 2 · Phenol, 2-(2H-benzotriazol-2-yl)-6-dodecyl-4-methyl-, branched and linear (125304-04-3)
安全と法規制
GHS分類
GHS Classification
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.;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
Chemical: Phenol, 2-(2H-benzotriazol-2-yl)-6-dodecyl-4-methyl-
Phenol, 2-(2H-benzotriazol-2-yl)-6-dodecyl-4-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
法規制情報
Regulatory Information
Chemical: Phenol, 2-(2H-benzotriazol-2-yl)-6-dodecyl-4-methyl-
Phenol, 2-(2H-benzotriazol-2-yl)-6-dodecyl-4-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
安全データ
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3082 9/PG 3
- risk_code
- 51/53
- hazard_code
- N
- safety_code
- 61
- Hazard Classifications
- Aquatic Chronic 4
- ストレージクラス
- 10 - Combustible liquids
化学と産業
応用分野
使用2-(2H-Benzothiazol-2-yl)-6-(dodecyl)-4-methylphenol is a uV-light absorber. It helps protect a product from deterioration because of uV-light exposure.
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補足説明
定義本品は、次の化学式で表される複素環式化合物である。
関連反応
関連ノート
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