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

HCID 6486CAS 77-62-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1cc(Cc2cc(C)cc(C3(C)CCCCC3)c2O)c(O)c(C2(C)CCCCC2)c1
InChIKey
PHXLONCQBNATSL-UHFFFAOYSA-N
분자식
C29H40O2
평균 분자량
420.6 g/mol
단동위원소 질량
420.30283052

이름 및 식별자

우선 이름
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
영어명
BIS[2-HYDROXY-5-METHYL-3-(1-METHYLCYCLOHEXYL)PHENYL]METHANE
분자식
C29H40O2
분자량
420.63

이름 및 동의어

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)-
이름 더 보기
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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
10
극성 표면적
40.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
4
무거운 원자 수
31

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Other Aromatic Compounds
Endocrine DisruptorsPotential endocrine disrupting compound
Food Contact Substances · 2건

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]

물리화학적 성질

녹는점
135 °C · 135°C
끓는 점
526.9 · 526.9±50.0 °C(Predicted)
밀도
1.058 · 1.058±0.06 g/cm3(Predicted)
산도 계수 (pKa)
10.14 · 10.14±0.50(Predicted)
물리적 상태
powder to crystal
색상
White to Light yellow to Light orange

안전 및 규제

GHS 분류

GHS Classification · 3건

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.

유해성 정보

Regulatory Information · 3건

Chemical: Phenol, 2,2′-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%)

독성 정보

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.

안전 데이터

tsca
TSCA listed
HS 번호
2907.19.8000
risk_code
36/37/38
safety_code
26-36/37/39
기존화학 물질
KE-23840
유해 물질 데이터
77-62-3(Hazardous Substances Data)

화학 및 산업

용도 및 제조

Uses · 2건

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

ANTIOXIDANT

General Manufacturing Information · 2건

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.

공급사31 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Aladdin Scientific[email protected]

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