Basic information
- Standard SMILES
Cc1cc(Cc2cc(C)cc(C3(C)CCCCC3)c2O)c(O)c(C2(C)CCCCC2)c1- InChIKey
PHXLONCQBNATSL-UHFFFAOYSA-N- Molecular formula
- C29H40O2
- Average molar mass
- 420.6 g/mol
- Monoisotopic mass
- 420.30283052
Names & identifiers
- Preferred name
- 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
- English name
- BIS[2-HYDROXY-5-METHYL-3-(1-METHYLCYCLOHEXYL)PHENYL]METHANE
- Molecular formula
- C29H40O2
- Molecular weight
- 420.63
Names & synonyms
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)-
Show more names
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
Database identifiers
- CAS
77-62-3- PubChem CID
- 6486
- DTXSID
DTXSID3052517- UNII
- 7TIR91VDI9
- EC Number
- 201-044-5
- Nikkaji
- J192.562H
Properties
Computed structural properties
- XLogP
- 10
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 523
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Other Aromatic Compounds
Endocrine DisruptorsPotential endocrine disrupting compound
Food Contact Substances
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]
Physicochemical properties
- Melting point
- 135 °C · 135°C
- Boiling point
- 526.9 · 526.9±50.0 °C(Predicted)
- Density
- 1.058 · 1.058±0.06 g/cm3(Predicted)
- RTECS
- 400000 · SM0400000
- pka
- 10.14 · 10.14±0.50(Predicted)
- form
- powder to crystal
- color
- White to Light yellow to Light orange
- BRN
- 2313064 · 2313064
- Indirect Additives used in Food Contact Substances
- 2 · 2,2'-METHYLENEBIS(6-(1-METHYLCYCLOHEXYL)-P-CRESOL)
- FDA 21 CFR
- 177.121 · 177.1210; 178.2010
- FDA UNII
- 7 TIR91VDI9 · 7TIR91VDI9
- EPA Substance Registry System
- 2 · 2,2'-Methylenebis[6-(1-methylcyclohexyl)-p-cresol] (77-62-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- TSCA
- TSCA listed
- HS Code
- 2907.19 · 2907.19.8000
- Hazardous Substances Data
- 77 · 77-62-3(Hazardous Substances Data)
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
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.
Hazard information
Regulatory Information
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%)
Toxicology
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.
Safety data
- tsca
- TSCA listed
- hs_code
- 2907.19.8000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazardous Substances Data
- 77-62-3(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
Uses
Used as antioxidant; [HSDB] Used as a polymer stabilizer; [MSDSonline]
ANTIOXIDANT
General Manufacturing Information
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.
Suppliers31 total
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]
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上海仲因实业有限公司2537653158 16621191650 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
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TCI AMERICA800-4238616 · [email protected]
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TCI Europe320-37350700 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
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广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
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天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
重庆卡兰医药有限公司[email protected]
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DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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Related reactions
2 records
Linked notes
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