基本情報
- CAS
27193-28-8- 標準SMILES
CC(C)(C)CC(C)(C)c1ccccc1O- InChIKey
XSXWOBXNYNULJG-UHFFFAOYSA-N- 分子式
- C14H22O
- 平均分子量
- 206.32 g/mol
- 単同位体質量
- 206.16706532
名称と識別子
- 優先名称
- tert-Octylphenol
- IUPAC
- 2-(2,4,4-trimethylpentan-2-yl)phenol
- 現地名
- 3-(1,1,3,3-テトラメチルブチル)フェノール
- 英語名
- Octylphenol
- 分子式
- C14H22O
- 分子量
- 206.32
名称と別名
Phenol, 2-(1,1,3,3-tetramethylbutyl)-tert-Octylphenol3884-95-527193-28-8o-tert-OctylphenolPhenol, octyl-o-(1,1,3,3-Tetramethylbutyl)phenol2-(1,1,3,3-Tetramethylbutyl)phenol(1,1,3,3-TETRAMETHYLBUTYL)PHENOLCaswell No. 613DUSAF RH-6Phenol, (1,1,3,3-tetramethylbutyl)-
名称をさらに表示
(1,1,3,3-テトラメチルブチル)フェノール3-(1,1,3,3-テトラメチルブチル)フェノールオクチルフェノールPTOPusafrh-6octyl-phenoOCTYLPHENOLPhenol,octyl-P-T-OCTYL PHENOLOCTYLPHENOLISOMERUSAF RH-6(general)SM5775000(general)P-TERT-OCTYLPHENOL
EINECS 223-420-8EINECS 248-310-7EPA Pesticide Chemical Code 064118S262P7049BDTXSID7042271TETRAMETHYLBUTYL)PHENOL, (1,1,3,3-DTXSID6027925RefChem:896609
データベース識別子
- CAS
27193-28-8、3884-95-5- PubChem CID
- 62530
- DTXSID
DTXSID7042271- ChEMBL
CHEMBL3182290- UNII
- S262P7049B
- EC Number
- 223-420-8、248-310-7
- Nikkaji
- J86.631H
物性
構造計算による物性
- XLogP
- 5
- 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
- 3
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 200
実験および物理化学的性質
Chemical ClassesOther Classes -> Phenols
物理化学的性質
- 融点
- 79 · 79-82 °C(lit.)
- 沸点
- 175 °C30 · 175 °C30 mm Hg(lit.)
- 比重(密度)
- 0.941 · 0.9410
- 屈折率
- 1.5022 · 1.5022 (estimate)
- 溶解性
- Almost insoluble in water, soluble in alcohol and most oils, very poorly soluble in aqueous alkali
- 色
- 白色から淡いピンク色のフレーク
- 臭い (Odor)
- faint, dry-medicinal odor
- CAS データベース
- 27193 · 27193-28-8(CAS DataBase Reference)
- EPAの化学物質情報
- (1,1,3,3-Tetramethylbutyl)phenol (27193-28-8)
化学的性質
化学的特性Octyl phenol is a white to pink crystalline solid.
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 7% (5 of 71) of reports.
Danger
H312 (93%): Harmful in contact with skin [Warning Acute toxicity, dermal]
P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 71 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.
危険有害性情報
Regulatory Information
Chemical: Phenol, 2-(1,1,3,3-tetramethylbutyl)-
Chemical: Phenol, (1,1,3,3-tetramethylbutyl)-
Phenol, (1,1,3,3-tetramethylbutyl)-: Does not have an individual approval but may be used under an appropriate group standard
Phenol, 2-(1,1,3,3-tetramethylbutyl)-: 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.
Other Safety Information
IMAP assessments - Octylphenols: Human health tier II assessment
IMAP assessments - Octylphenols: Human health tier II assessment
Hazards SummaryIntraperitoneal LD50 (mouse) = 25 mg/kg; Causes changes in uterine weight in 3-day intermittent oral and subcutaneous studies of rats; [RTECS] See 4-(1,1,3,3-Tetramethylbutyl)phenol. See 2-tert-Butylphenol. See o-sec-Butylphenol.
Hazard Classes and Categories
Acute Tox. 4 (93%)
Skin Irrit. 2 (75%)
Skin corrosion - category 1
Skin corrosion - category 1
安全データ
化学と産業
用途と製造
UsesPermitted for use as an inert ingredient in non-food pesticide products; [EPA]
General Manufacturing Information
Phenol, 2-(1,1,3,3-tetramethylbutyl)-: ACTIVE
Phenol, (1,1,3,3-tetramethylbutyl)-: ACTIVE
応用分野
説明Octylphenol belongs to the wider family of alkylphenols, and is used as an intermediate in the production of phenolic resins and in the manufacture of octylphenol ethoxylates. Some alkylphenols can bioaccumulate in fishes, and some of their degradation products, including octylphenol, are toxic to aquatic life.
サプライヤー4 社
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
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