基本情報
- CAS
17540-75-9- 標準SMILES
CCC(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1- InChIKey
BFZOTKYPSZSDEV-UHFFFAOYSA-N- 分子式
- C18H30O
- 平均分子量
- 262.4 g/mol
- 単同位体質量
- 262.22966558
名称と識別子
- 優先名称
- 4-sec-Butyl-2,6-di-tert-butylphenol
- IUPAC
- 4-butan-2-yl-2,6-ditert-butylphenol
- 現地名
- 4-sec-ブチル-2,6-ジ-tert-ブチルフェノール
- 英語名
- 4-sec-Butyl-2,6-di-tert-butylphenol
- 分子式
- C18H30O
- 分子量
- 262.43
名称と別名
4-sec-Butyl-2,6-di-tert-butylphenol2,6-Di-tert-butyl-4-sec-butylphenolPhenol, 2,6-bis(1,1-dimethylethyl)-4-(1-methylpropyl)-Isonox 132Vanox 1320TYL476W27YEINECS 241-533-0NSC 14460NSC-14460ISONOX(R) 132Phenol, 4-sec-butyl-2,6-di-tert-butyl-2,6-di-tertiary-butyl-4-sec-butylphenol
名称をさらに表示
4-sec-ブチル-2,6-ジ-tert-ブチルフェノール2,6-ビス(1,1-ジメチルエチル)-4-(1-メチルプロピル)フェノール２，６ジｔｅｒｔブチル４ｓｅｃブチルフェノルISONOX® 132 (1000 ΜG/ML IN HEXANE)Isonox® 132 , 1000 ug/mL in Hexane-2,6-DI-TERT-BUTYL2,6-DI-TERT-BUTYL-4-SEC-BUTYL PHENOL4-sec-Butyl-2,6-di-tert-butylphenol >TIANFU-CHEM 4-SEC-BUTYL-2,6-DI-TERT-BUTYLPHENOL4-sec-Butyl-2,6-di-tert-butylphenol in isooctane
2,6-BIS(1,1-DIMETHYLETHYL)-4-(1-METHYLPROPYL)PHENOLRefChem:526704(+-)-4-SEC-BUTYL-2,6-DI-TERT-BUTYLPHENOL241-533-017540-75-94-(sec-Butyl)-2,6-di-tert-butylphenol4-(Butan-2-yl)-2,6-di-tert-butylphenol4-butan-2-yl-2,6-ditert-butylphenol
データベース識別子
- CAS
17540-75-9- PubChem CID
- 86583
- DTXSID
DTXSID8029315- ChEMBL
CHEMBL3189073- UNII
- TYL476W27Y
- EC Number
- 241-533-0
- Nikkaji
- J287.077K
物性
構造計算による物性
- XLogP
- 6.6
- 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
- 4
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 257
実験および物理化学的性質
Endocrine DisruptorsPotential endocrine disrupting compound
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Physical DescriptionLiquid
物理化学的性質
- 融点
- 25 °C · 25 °C(lit.)
- 沸点
- 141 · 141-142 °C10 mm Hg(lit.)
- 比重(密度)
- 0.902 g/mL · 0.902 g/mL at 25 °C(lit.)
- 蒸気圧
- 0.14 · 0.14-0.29Pa at 20-25℃
- 屈折率
- 1.5006 · 1.5006 (estimate)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- Sealed in dry,Room Temperature
- 外見
- Liquid
- 酸解離定数(Pka)
- 11.85 · 11.85±0.70(Predicted)
- 色
- White or Colorless to Yellow
- InChI
- 1S/C18H30O/c1-9-12(2)13-10-14(17(3,4)5)16(19)15(11-13)18(6,7)8/h10-12,19H,9H2,1-8H3
- InChIKey
- BFZOTKYPSZSDEV-UHFFFAOYSA-N
- SMILES
- CCC(C)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
- LogP
- 7.2 at · 7.2 at 20℃
- EPAの化学物質情報
- 2 · 2,6-Di-tert-butyl-4-sec-butylphenol (17540-75-9)
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 19.1% (73 of 383) of reports.
Warning
H315 (60.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 383 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
危険有害性情報
Regulatory Information
Chemical: Phenol, 2,6-bis(1,1-dimethylethyl)-4-(1-methylpropyl)-
Hazard Traits - Bioaccumulation; Environmental Persistence
Phenol, 2,6-bis(1,1-dimethylethyl)-4-(1-methylpropyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2,6-bis(1,1-dimethylethyl)-4-(1-methylpropyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 16-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/26745
2,6-Bis(1,1-dimethylethyl)-4-(1-methylpropyl)phenol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Phenol, 2,6-bis(1,1-dimethylethyl)-4-(1-methylpropyl)-: Human health tier I assessment
Hazard Classes and Categories
Skin Irrit. 2 (60.1%)
Specific target organ toxicity - Repeated exposure - Category 2 (liver, blood coagulation system)
Skin sensitization - Category 1B
安全データ
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29071990
- risk_code
- 36/37/38
- 化審法
- (3)-540 監視化学物質
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
U.S. Production2023: 1,000,000 - <5,000,000 lb
Industry UsesAntioxidant
General Manufacturing Information
Petrochemical Manufacturing
Phenol, 2,6-bis(1,1-dimethylethyl)-4-(1-methylpropyl)-: ACTIVE
応用分野
使用A Low Cost, Highly Active, Liquid Stabilizer for Polyols, PVC, Adhesives and Functional Fluids (FDA approved in PVC)
一般的な説明Synthesis of 4-sec-butyl-2,6-di-tert-butylphenol from 4-(sec-butyl) phenol and isobutene using sulfuric resin as catalyst, is reported.
上流・下流製品情報
下流製品
サプライヤー50 社
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
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TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
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BOC Sciences[email protected]
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上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
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河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
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艾览（上海）化工科技有限公司400-668-9898 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
安徽勇晟医药科技有限公司021-50430803 18016036736;18017383231 · [email protected]
Aladdin Scientific[email protected]
湖北达豪化工有限公司027-59106191 13986034860 · [email protected]
湖北信康医药化工有限公司027-027-59308705 18871579363 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
南京大唐化工有限责任公司025-85431992 13951889900 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
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