Basic information
- CAS
4066-02-8- Standard SMILES
Cc1cc(Cc2cc(C)cc(C3CCCCC3)c2O)c(O)c(C2CCCCC2)c1- InChIKey
AKNMPWVTPUHKCG-UHFFFAOYSA-N- Molecular formula
- C27H36O2
- Average molar mass
- 392.6 g/mol
- Monoisotopic mass
- 392.27153039
Names & identifiers
- Preferred name
- 2,2'-Methylenebis(6-cyclohexyl-p-cresol)
- IUPAC
- 2-cyclohexyl-6-[(3-cyclohexyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
- English name
- 2,2'-Methylenebis(6-cyclohexyl-4-methyl)phenol
- Molecular formula
- C27H36O2
- Molecular weight
- 392.57
Names & synonyms
Show more names
Database identifiers
- CAS
4066-02-8- PubChem CID
- 77681
- DTXSID
DTXSID6052081- UNII
- 6825HV3123
- EC Number
- 223-773-8
- Nikkaji
- J217.872I
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 449
Physicochemical properties
- Melting point
- 134 °C · 134 °C
- Boiling point
- 477 · 477.0±40.0 °C(Predicted)
- Density
- 1.088 · 1.088
- vapor pressure
- 0 Pa · 0Pa at 20℃
- solubility
- soluble in Acetone
- form
- powder to crystal
- pka
- 10.21 · 10.21±0.50(Predicted)
- color
- White to Light yellow
- Water Solubility
- 34 μg/L · 34μg/L at 20℃
- LogP
- 6.3 · 6.3
- FDA UNII
- 6825 HV3123 · 6825HV3123
- EPA Substance Registry System
- 2 · Phenol, 2,2'-methylenebis[6-cyclohexyl-4-methyl- (4066-02-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- RTECS
- 335000 · SM0335000
- TSCA
- TSCA listed
- HS Code
- 2907.29 · 2907.29.9000
- Toxicity
- 50 oral · LD50 oral in rat: > 2gm/kg
- REACH Registrations
- Inactive
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 1.5% (1 of 65) of reports.
Warning
H361 (56.9%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity];H413 (96.9%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P203, P273, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 65 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 65 reports by companies.;There are 3 notifications provided by 64 of 65 reports by companies with hazard statement code(s).;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.
Hazard information
Regulatory Information
Chemical: Phenol, 2,2â²-methylenebis[6-cyclohexyl-4-methyl-
Status: Cease Manufacture Update: 09-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21792
Phenol, 2,2'-methylenebis[6-cyclohexyl-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Regulatory information
Regulatory Information
Chemical: Phenol, 2,2â²-methylenebis[6-cyclohexyl-4-methyl-
Status: Cease Manufacture Update: 09-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21792
Phenol, 2,2'-methylenebis[6-cyclohexyl-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- tsca
- TSCA listed
- rtecs
- SM0335000
- hs_code
- 2907.29.9000
- Toxicity
- LD50 oral in rat: > 2gm/kg
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- REACH Registrations
- Inactive
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
Applications
Uses6,6''-Methylenebis(2-cyclohexyl-4-methylphenol) is dedust compound for treatment of mineral fibers.
Upstream & downstream products
Upstream raw materials
Suppliers46 total
Related reactions
Compound notes
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