1,6-ヘキサンジオールビス[3-(3,5-ジ-tert-ブチル-4-ヒドロキシフェニル)プロピオナート]

Hexamethylene glycol bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)

HCID 64870CAS 35074-77-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)(C)c1cc(CCC(=O)OCCCCCCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIKey: ZVVFVKJZNVSANF-UHFFFAOYSA-N
分子式: C40H62O6
平均分子量: 638.9 g/mol
単同位体質量: 638.4546397

名称と識別子

優先名称: Hexamethylene glycol bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)
IUPAC: 6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
現地名: 1,6-ヘキサンジオールビス[3-(3,5-ジ-tert-ブチル-4-ヒドロキシフェニル)プロピオナート]
英語名: Hexamethylene bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]
分子式: C40H62O6
分子量: 638.92

名称と別名

35074-77-2Irganox 259Hexamethylene bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]Irganox 249Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,6-hexanediyl esterEINECS 252-346-9U7W3Z36N61ANTIOXIDANT 2591,6-Hexamethylenebis(3,5-tert-butyl-4-hydroxyhydrocinnamate)Hexamethylene bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)Hexamethylene glycol bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)DTXSID0027985

名称をさらに表示

イルガノックス2591,6-ヘキサンジオール-ビス[3(3,5-ジ-t-ブチル-4-ヒドロキシフェニル)プロピオネート]1,6-ヘキサンジオールビス[3-(3,5-ジ-tert-ブチル-4-ヒドロキシフェニル)プロピオナート]ヘキサン-1,6-ジオールビス[β-(3,5-ジ-tert-ブチル-4-ヒドロキシフェニル)プロピオナート]ビス(3,5-ジ-tert-ブチル-4-ヒドロキシベンゼンプロパン酸)1,6-ヘキサンジイルIRGANOX® 259IRGANOX® 259 (1000 ΜG/ML IN HEXANE)Irganox® 259 , 1000 ug/mL in HexaneIrganoxR 259ビス[3-(3,5-ジ-tert-ブチル-4-ヒドロキシフェニル)プロパン酸](ヘキサメチレン)イルガノクスL-1096-{[3-(3,5-ジ-tert-ブチル-4-ヒドロキシフェニル)プロパノイル]オキシ}ヘキシル 3-(3,5-ジ-tert-ブチル-4-ヒドロキシフェニル)プロパノアートビス[3-(3,5-ジ-tert-ブチル-4-ヒドロキシフェニル)プロピオン酸]ヘキサメチレンirganox249Hexamethylenebis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)Hexanediol bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoateHexamethylenbis[3-(3,5-di-tert.-butyl-4-hydroxyphenyl)propionat]1,6-hexanediyl3,5-bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoateHexane-1,6-diol bis[β-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]

EC 252-346-91,6-hexanediol bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]Hexamethylene bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)1,6-Hexanediyl 3,5-bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoateBenzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-(1,6-hexanediyl) ester1,6-Hexanediyl bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamte)1,6-hexanediol bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)HEXAMETHYLENE 3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)PROPIONATE

データベース識別子

CAS: 35074-77-2
PubChem CID: 64870
DTXSID: DTXSID0027985
UNII: U7W3Z36N61
EC Number: 252-346-9
Nikkaji: J46.618B

物性

構造計算による物性

XLogP: 11.2
極性表面積: 93.1 Å²
水素結合供与体数: 2
水素結合受容体数: 6
回転可能結合数: 19
重原子数: 46
形式電荷: 0
複雑度: 805

実験および物理化学的性質

Food Contact Substances · 2 件

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionOther Solid

物理化学的性質

融点: 102 · 102-105°C
沸点: 648.1 · 648.1±55.0 °C(Predicted)
比重(密度): 1.032 · 1.032±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: クロロホルム（微量）、メタノール（微量）
酸解離定数(Pka): 12.03 · 12.03±0.40(Predicted)
外見: 個体
色: オフホワイト
EPAの化学物質情報: 1 · 1,6-Hexanediyl bis[3,5-di-tert-butyl-4-hydroxyhydrocinnamte] (35074-77-2)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 73.6% (298 of 405) of all reports.

Warning

H336 (14.8%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]

P261, P271, P273, P304+P340, P319, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 405 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,6-hexanediyl ester

Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-(1,6-hexanediyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-(1,6-hexanediyl) ester 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: 07-01-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16505

Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,6-hexanediyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSTOT SE 3 (14.8%)

安全データ

tsca: TSCA listed

化学と産業

用途と製造

U.S. Production2023: 250,000 - <550,000 lb

Consumer UsesReducing agent

Industry UsesReducing agent

General Manufacturing Information · 2 件

Plastics Product Manufacturing

Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-(1,6-hexanediyl) ester: ACTIVE

サプライヤー50 社

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