CAS 489-01-0 2,6-Di-tert-butyl-4-methoxyphenol (HCID 10269)

名称と識別子

優先名称: 2,6-Di-tert-butyl-4-methoxyphenol
IUPAC: 2,6-ditert-butyl-4-methoxyphenol
現地名: 2,6-ジ-tert-ブチル-4-メトキシフェノール
英語名: 2,6-DI-TERT-BUTYL-4-METHOXYPHENOL
分子式: C15H24O2
分子量: 236.35

名称と別名

2,6-DI-TERT-BUTYL-4-METHOXYPHENOL489-01-03,5-Di-tert-butyl-4-hydroxyanisoleTopanol 3542,6-ditert-butyl-4-methoxyphenol3,5-di-t-Butyl-4-hydroxyanisolePhenol, 2,6-bis(1,1-dimethylethyl)-4-methoxy-Phenol, 2,6-di-tert-butyl-4-methoxy-DTXSID8041379616072TMXYNSC-14451DTXCID6021379

名称をさらに表示

2,6-ジ-tert-ブチル-4-メトキシフェノール4-メトキシ-2,6-ジ(tert-ブチル)フェノール4-ヒドロキシ-3,5-ジ-tert-ブチルアニソール2,6-ジtert-ブチル-4-メトキシフェノール2,6-ジ(1,1-ジメチルエチル)-4-メトキシフェノール3,5-ジ-tert-ブチル-4-ヒドロキシアニソール4-メトキシ-2,6-ジ-tert-ブチルフェノール2,6-ビス(tert-ブチル)-4-メトキシフェノール2,6‐ジ‐TERT‐ブチル‐4‐メトキシフェノール2,6-ジ-T-ブチル-4-メトキシフェノール2,6-ジ(tert-ブチル)-4-メトキシフェノールDTBHA[Oxidation inhibitor]Everolimus Impurity 463,5-DI-TERT-BUTYL-4-HYDROXYANISOL4-METHOXY-2-6-DI-TERT-BUTYLPHENOL2,6-di-tert-butyl-4-methoxy-pheno

RefChem:831033,5-DTBHA207-693-0MFCD00008824EINECS 207-693-02,6-bis(tert-butyl)-4-methoxyphenol2,6-di-t-butyl-4-methoxyphenol2,6-Bis(1,1-dimethylethyl)-4-methoxyphenol

データベース識別子

CAS: 489-01-0
PubChem CID: 10269
DTXSID: DTXSID8041379
ChEMBL: CHEMBL98253
ChEBI: CHEBI:183868
UNII: 616072TMXY
EC Number: 207-693-0
Nikkaji: J151.263C

物性

構造計算による物性

XLogP: 4.9
極性表面積: 29.5 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 17
形式電荷: 0
複雑度: 223

実験および物理化学的性質

Kovats Retention Index1527

Collision Cross Section157.2 Å² [M]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID8041379]；160.4 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID8041379]

物理化学的性質

融点: 102 · 102-106 °C (lit.)
沸点: 135 · 135-140°C 10mm
比重(密度): 0.9845 · 0.9845 (rough estimate)
屈折率: 1.5542 · 1.5542 (estimate)
闪点: 135 · 135-140°C/10mm
貯蔵温度: 2 · 2-8°C, stored under nitrogen
溶解性: soluble in Methanol
酸解離定数(Pka): 13.04 · 13.04±0.40(Predicted)
外見: 液体
色: クリア
BRN: 2052290 · 2052290
InChI: InChI=1S/C15H24O2/c1-14(2,3)11-8-10(17-7)9-12(13(11)16)15(4,5)6/h8-9,16H,1-7H3
InChIKey: SLUKQUGVTITNSY-UHFFFAOYSA-N
SMILES: C1(O)=C(C(C)(C)C)C=C(OC)C=C1C(C)(C)C
CAS データベース: 489 · 489-01-0(CAS DataBase Reference)
EPAの化学物質情報: 2 · 2,6-Di-tert-butyl-4-methoxyphenol (489-01-0)

化学的性質

化学的特性white to beige crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

安全データ

wgk: 3
rtecs: SJ7785668
hs_code: 29095000
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
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

応用分野

使用2,6-Di-tert-butyl-4-methoxyphenol has been used to protect cosmetics, drugs and foods from oxidative degradation.

一般的な説明2,6-Di-tert-butyl-4-methoxyphenol is a phenolic antioxidant. It participates in In(trifluoromethanesulfonate)3-catalyzed tandem reaction of ortho-alkynylarylimine with various nucleophiles.