4,4'-(3,3,5-Trimethylcyclohexylidene)bis(phenol)

HCID 4134035
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
129188-99-4
Standard SMILES
CC1CC(C)(C)CC(c2ccc(O)cc2)(c2ccc(O)cc2)C1
InChIKey
UMPGNGRIGSEMTC-UHFFFAOYSA-N
Molecular formula
C21H26O2
Average molar mass
310.4 g/mol
Monoisotopic mass
310.19328007

Names & identifiers

Preferred name
4,4'-(3,3,5-Trimethylcyclohexylidene)bis(phenol)
IUPAC
4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol
English name
Bisphenol TMC
Molecular formula
C21H26O2
Molecular weight
310.43

Names & synonyms

129188-99-4Phenol, 4,4'-(3,3,5-trimethylcyclohexylidene)bis-RefChem:5064614,4'-(3,3,5-Trimethylcyclohexylidene)bis(phenol)603-320-4Bisphenol TMC4,4'-(3,3,5-trimethylcyclohexane-1,1-diyl)diphenol4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenolMFCD28167155SCHEMBL18187BDBM176759AS-68282
Show more names
1,1-BIS(4-HYDROXYPHENYL)-3,3,5-TRIMETHYLCYCLOHEXANEBisphenol TMC,BPTMCBisphenol TMC SolutionBisphenol TMC in acetonitrileBisphenol TMC@10 mg/mL in MethanolBisphenol TMC 100 μg/mL in Methanol1,1-BIS(4-HYDROXYPHENYL)-3,3,5-TRIMETHYLCY
US9688816, JBisphenol TMC 100 microg/mL in Methanol1,1-bis-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexaneBISP-TMC2~3~,2~3~,2~5~-Trimethyl-2~3~,2~4~,2~5~,2~6~-tetrahydro-2~2~H-[1~1~,2~1~:2~1~,3~1~-terphenyl]-1~4~,3~4~-diolBPTMCHydro Isophorone BisphenolA888889

Database identifiers

CAS
129188-99-4
PubChem CID
4134035
DTXSID
DTXSID50881048
ChEMBL
CHEMBL5877031
EC Number
603-320-4
Nikkaji
J327.379B

Properties

Computed structural properties

XLogP
6.3
Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
23

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionDry Powder

Physicochemical properties

Melting point
204 · 204-207°C
Boiling point
450.8 · 450.8±38.0 °C(Predicted)
Density
1.075 · 1.075±0.06 g/cm3(Predicted)
storage temp.
Room Temperature
solubility
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
pka
9.91 · 9.91±0.30(Predicted)

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Hazard information

Regulatory Information · 2 items

Phenol, 4,4'-(3,3,5-trimethylcyclohexylidene)bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4'-(3,3,5-trimethylcyclohexylidene)bis- 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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and Categories · 2 items

Skin Irrit. 2 (100%)

Aquatic Chronic 1 (100%)

Safety data

wgk
3
tsca
TSCA listed
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Uses & manufacturing

U.S. Production2023: <50,000 lb
Industry UsesMonomers
General Manufacturing Information · 2 items

Plastics Material and Resin Manufacturing

Phenol, 4,4'-(3,3,5-trimethylcyclohexylidene)bis-: ACTIVE

Applications · 2 items

DescriptionBisphenol TMC, also known as 2,2-bis-(4-hydroxy phenyl) butane, is a very important organic chemistry raw material, they are as macromolecular material intermediate, are applied in the fields such as synthetic epoxy resin, cyanate, polycarbonate, polyarylester and resol widely.

UsesBisphenol TMC(1,1-Bis(4-hydroxyphenyl)-3,3,5-trimethylcyclohexane) is a bisphenol derivative used in the preparation of polycarbonate, polyester and epoxy resins.

Upstream & downstream products

Suppliers79 total

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
湖北云镁科技有限公司027-59206672 18995657604 · [email protected]

Related reactions

6 records
New reaction record

Compound notes

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