2,2'-メチレンビス[6-(1-メチルシクロヘキシル)-p-クレゾール]

2,2'-Methylenebis(6-(1-methylcyclohexyl)-p-cresol)

HCID 6486CAS 77-62-3

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1cc(Cc2cc(C)cc(C3(C)CCCCC3)c2O)c(O)c(C2(C)CCCCC2)c1
InChIKey: PHXLONCQBNATSL-UHFFFAOYSA-N
分子式: C29H40O2
平均分子量: 420.6 g/mol
単同位体質量: 420.30283052

名称と識別子

優先名称: 2,2'-Methylenebis(6-(1-methylcyclohexyl)-p-cresol)
IUPAC: 2-[[2-hydroxy-5-methyl-3-(1-methylcyclohexyl)phenyl]methyl]-4-methyl-6-(1-methylcyclohexyl)phenol
現地名: 2,2'-メチレンビス[6-(1-メチルシクロヘキシル)-p-クレゾール]
英語名: BIS[2-HYDROXY-5-METHYL-3-(1-METHYLCYCLOHEXYL)PHENYL]METHANE
分子式: C29H40O2
分子量: 420.63

名称と別名

77-62-32,2'-Methylenebis[6-(1-methylcyclohexyl)-p-cresol]Ionox wspNonox wspBisalkofen mtspBis[2-hydroxy-5-methyl-3-(1-methylcyclohexyl)phenyl]methaneHSDB 52152,2'-Methylenebis(6-(1-methylcyclohexyl)-p-cresol)EINECS 201-044-57TIR91VDI9PERMANAXp-Cresol, 2,2'-methylenebis(6-(1-methylcyclohexyl)-

名称をさらに表示

2,2'-メチレンビス[6-(1-メチルシクロヘキシル)-p-クレゾール]2,2'-メチレンビス[6-(1-メチルシクロヘキシル)-4-メチルフェノール]ノノックスWSP2,2'-メチレンビス[4-メチル-6-(1-メチルシクロヘキシル)フェノール]ロウイノックスWSP2,2'-ジヒドロキシ-3,3'-ビス(α-メチルシクロヘキシル)-5,5'-ジメチルジフェニルメタンビス[2-ヒドロキシ-5-メチル-3-(1-メチルシクロヘキシル)フェニル]メタン2，2’-ジヒドロキシ-3，3’-ビス（α-メチルシクロヘキシル）-5，5’-ジメチルジフェニルメタン2,2′-メチレンビス[6-(1-メチルシクロヘキシル)-4-メチルフェノール]2-{[2-ヒドロキシ-5-メチル-3-(1-メチルシクロヘキシル)フェニル]メチル}-4-メチル-6-(1-メチルシクロヘキシル)フェノール2,2′-メチレンビス[4-メチル-6-(1-メチルシクロヘキシル)フェノール]ionoxwspnonoxwspLowinox WSPbisalkofenmtspmethylenebismethylcyclohexylpcresol22METHYLENEBIS61METHYLCYCLOHEXYLPARACRESOL2,2′-Methylenbis[6-(1-methylcyclohexyl)-p-kresol2,2’-methylenebis(6-(1-methylcyclohexyl)-p-creso2,2'-Methylenebis[6-(1-methylcyclohexyl)-p-cresol]>

2,2'-Methylenebis(4-methyl-6-(1-methylcyclohexyl)phenol)2,2'-Methylenebis[4-methyl-6-(1-methylcyclohexyl)phenol]Phenol, 2,2'-methylenebis(4-methyl-6-(1-methylcyclohexyl)-Phenol, 2,2'-methylenebis[4-methyl-6-(1-methylcyclohexyl)-BIS(2-HYDROXY-5-METHYL-3-(1-METHYLCYCLOHEXYL)PHENYL)METHANEBIS(2-HYDROXY-3-(.ALPHA.-METHYLCYCLOHEXYL)-5-METHYLPHENYL)METHANEBis(2-hydroxy-5-methyl-3-[1-methylcyclohexyl]phenyl)methaneRefChem:440318

データベース識別子

CAS: 77-62-3
PubChem CID: 6486
DTXSID: DTXSID3052517
UNII: 7TIR91VDI9
EC Number: 201-044-5
Nikkaji: J192.562H

物性

構造計算による物性

XLogP: 10
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: 4
重原子数: 31
形式電荷: 0
複雑度: 523

実験および物理化学的性質

Chemical ClassesOther Classes -> Other Aromatic Compounds

Endocrine DisruptorsPotential endocrine disrupting compound

Food Contact Substances · 2 件

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

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

Physical DescriptionWhite to cream-colored powder; [MSDSonline]

物理化学的性質

融点: 135 °C · 135°C
沸点: 526.9 · 526.9±50.0 °C(Predicted)
比重(密度): 1.058 · 1.058±0.06 g/cm3(Predicted)
酸解離定数(Pka): 10.14 · 10.14±0.50(Predicted)
外見: powder to crystal
色: White to Light yellow to Light orange
BRN: 2313064 · 2313064
EPAの化学物質情報: 2 · 2,2'-Methylenebis[6-(1-methylcyclohexyl)-p-cresol] (77-62-3)

安全と法規制

GHS分類

GHS Classification · 3 件

H413 (99.5%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 184 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: Phenol, 2,2â²-methylenebis[4-methyl-6-(1-methylcyclohexyl)-

Status: Active Update: 06-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22349

Phenol, 2,2'-methylenebis[4-methyl-6-(1-methylcyclohexyl)-: Non hazardous

Hazards SummaryCauses weight loss in high-dose feeding studies; LD20 (mouse) = 10000 mg/kg; [RTECS] May cause irritation; Long term overexposure may cause liver and blood effects; Effects in high-dose animal studies include liver injury; [MSDSonline]

Hazard Classes and CategoriesAquatic Chronic 4 (99.5%)

毒性情報

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

安全データ

tsca: TSCA listed
hs_code: 2907.19.8000
risk_code: 36/37/38
化審法: (4)-888
safety_code: 26-36/37/39
有毒物質データの: 77-62-3(Hazardous Substances Data)

化学と産業

用途と製造

Uses · 2 件

Used as antioxidant; [HSDB] Used as a polymer stabilizer; [MSDSonline]

ANTIOXIDANT

General Manufacturing Information · 2 件

Phenol, 2,2'-methylenebis[4-methyl-6-(1-methylcyclohexyl)-: ACTIVE

ANTIFUNGAL ACTIVITY OF SERIES OF ALKYL & ALKYLARYL PHENOLS WERE TESTED IN VITRO AGAINST 9 STRAINS OF PATHOGENIC FUNGI, ASPERGILLUS, MICROSPORUM, TRICHOPHYTON, CANDIDA. 2 COMPD SHOWED MUTAGENIC ACTIVITY IN SALMONELLA.

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