Butylated hydroxymethylphenol (HCID 6929)

名称と識別子

優先名称: Butylated hydroxymethylphenol
IUPAC: 2,6-ditert-butyl-4-(hydroxymethyl)phenol
現地名: 2,6-ジ-tert-ブチル-4-ヒドロキシメチルフェノール
英語名: 3,5-Di-tert-butyl-4-hydroxybenzyl alcohol
分子式: C15H24O2
分子量: 236.35

名称と別名

2,6-Di-tert-butyl-4-(hydroxymethyl)phenol2,6-Di-tert-butyl-4-hydroxymethylphenolDTXSID702021146ND6GQI484-hydroxymethyl-2,6-di-tert-butylphenolBENZYL ALCOHOL, 3,5-DI-tert-BUTYL-4-HYDROXY-NSC-159133DTXCID70211BHTBzOH4-HMDBPRefChem:83102201-815-6

名称をさらに表示

2,6-ジ-tert-ブチル-4-ヒドロキシメチルフェノール4-ヒドロキシ-3,5-ジ-tert-ブチルベンジルアルコールブチル化ヒドロキシメチルフェノール3,5-ビス(1,1-ジメチルエチル)-4-ヒドロキシベンジルアルコール3,5-ジ-tert-ブチル-4-ヒドロキシベンゼンメタノールイオノックス100抗酸化剤4-(ヒドロキシメチル)-2,6-ジ(tert-ブチル)フェノール2,6-ビス(tert-ブチル)-4-(ヒドロキシメチル)フェノールイオノックス100イオノックス100酸化防止剤2,6-ジ(tert-ブチル)-4-(ヒドロキシメチル)フェノール3,5-ジ(tert-ブチル)-4-ヒドロキシベンジルアルコール4-ヒドロキシメチル-2,6-ジ-tert-ブチルフェノール2,6-ジ-tert-ブチル-4-(ヒドロキシメチル)フェノール2,6-ジtert-ブチル-4-(ヒドロキシメチル)フェノール4-(ヒドロキシメチル)-2,6-ジ-tert-ブチルフェノール3,5-ビス(tert-ブチル)-4-ヒドロキシベンゼンメタノール3,5-ジ-tert-ブチル-4-ヒドロキシベンジルアルコールエタノックス7544-ヒドロキシメチル-2, 6-ジ-tert-ブチルフェノールButylated hydroxymethylphenolao754AO 754ionox100Ethanox-754antioxidant754ionox100antioxidant

88-26-63,5-Di-tert-butyl-4-hydroxybenzyl alcoholBHT alcoholAntioxidant 754Ionox 100Ionox 100 antioxidantBenzenemethanol, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-2,6-ditert-butyl-4-(hydroxymethyl)phenol

データベース識別子

CAS: 88-26-6
PubChem CID: 6929
DTXSID: DTXSID7020211
ChEMBL: CHEMBL225220
ChEBI: CHEBI:173703
UNII: 46ND6GQI48
EC Number: 201-815-6
Nikkaji: J12.804J

物性

構造計算による物性

XLogP: 4
極性表面積: 40.5 Å²
水素結合供与体数: 2
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

Melting Point141 °C

Physical DescriptionSolid

Kovats Retention Index1781.4

物理化学的性質

融点: 139 · 139-141 °C(lit.)
沸点: 214 °C · 214°C 40mm
比重(密度): 0.9845 · 0.9845 (rough estimate)
蒸気圧: 0 Pa · 0Pa at 20℃
屈折率: 1.5542 · 1.5542 (estimate)
闪点: 214 °C/40mm · 214°C/40mm
貯蔵温度: 2 · 2-8°C
水溶解度: Insoluble in water
酸解離定数(Pka): 12.01 · 12.01±0.40(Predicted)
外見: Solid:particulate/powder
色: White to Yellow to Orange
BRN: 2052291 · 2052291
InChI: 1S/C15H24O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,16-17H,9H2,1-6H3
InChIKey: HNURKXXMYARGAY-UHFFFAOYSA-N
SMILES: CC(C)(C)c1cc(CO)cc(c1O)C(C)(C)C
LogP: 3.16 at · 3.16 at 20℃
CAS データベース: 88 · 88-26-6(CAS DataBase Reference)
NISTの化学物質情報: 3 · 3,5-Di-tert-butyl-4-hydroxybenzyl alcohol(88-26-6)
EPAの化学物質情報: 3 · 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenemethanol (88-26-6)

化学的性質

化学的特性White, crystalline powder.No odor. Partially soluble in methanol, ethanol, and acetone; insoluble in water. Combustible.

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (95.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (93.3%): 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 45 reports by companies from 5 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

Regulatory Information · 3 件

Chemical: Benzenemethanol, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-

Status: Active Update: 28-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20761

Benzenemethanol, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-: 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.

Hazard Classes and CategoriesSkin Irrit. 2 (95.6%)；Eye Irrit. 2 (95.6%)；STOT SE 3 (93.3%)

法規制情報

Regulatory Information · 3 件

Chemical: Benzenemethanol, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-

Status: Active Update: 28-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20761

Benzenemethanol, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-: 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: 3
tsca: TSCA listed
rtecs: DO0750000
毒性: LDLo oral in mouse: 7gm/kg
hs_code: 29072990
risk_code: 36/37/38
化審法: (3)-542, (3)-1079
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Aquatic Chronic 3
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

Use ClassificationFood Additives -> ANTIOXIDANT -> JECFA Functional Classes

General Manufacturing InformationBenzenemethanol, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-: ACTIVE

応用分野 · 2 件

用途保存料等、酸化防止剤

使用3,5-Di-tert-butyl-4-hydroxybenzyl alcohol is an antioxidant used alone or in combination with other permitted antioxidants. The total amount of all antioxidants added to food must not exceed 0.02% of the oil or fat content of the food, including the essential (volatile) oil content of the food.