4,4',4''-Trimethyltrityl alcohol

HCID 76733

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Basic information

CAS: 3247-00-5
Standard SMILES: Cc1ccc(C(O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIKey: DNWQXZDDISHGRM-UHFFFAOYSA-N
Molecular formula: C22H22O
Average molar mass: 302.4 g/mol
Monoisotopic mass: 302.16706532

Names & identifiers

Preferred name: 4,4',4''-Trimethyltrityl alcohol
IUPAC: tris(4-methylphenyl)methanol
English name: 4,4',4''-TRIMETHYLTRITYL ALCOHOL
Molecular formula: C22H22O
Molecular weight: 302.41

Names & synonyms

3247-00-54,4',4''-Trimethyltrityl alcoholEINECS 221-822-8DTXSID10186203NSC 123489RefChem:506378DTXCID80108694221-822-8Tri-p-tolylmethanolTris(4-methylphenyl)methanolMethanol, tri-p-tolyl-Tri(p-tolyl)methanol

Show more names

tri(p-tolyl) carbinol4,4',4''-Trimethyltriphenylmethanol4,4'',4''-TRIMETHYLTRITYL ALCOHOL, 98+%Tri(p-tolyl) carbinol~Tri(p-tolyl)methanol4-Methyl-α,α-bis(4-methylphenyl)benzenemethanol

4,4'-Dimethyl-4''-methyltrityl alcoholMFCD00014919Benzenemethanol, 4-methyl-.alpha.,.alpha.-bis(4-methylphenyl)-trip-tolylmethanotris-p-tolylmethanolNSC123489CHEMBL332492SCHEMBL2494396

Database identifiers

CAS: 3247-00-5
PubChem CID: 76733
DTXSID: DTXSID10186203
ChEMBL: CHEMBL332492
EC Number: 221-822-8
Nikkaji: J262.353F

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 297

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point: 94 · 94-96°C
storage temp.: Store at room temperature
Appearance: White to off-white Solid
BRN: 2055803 · 2055803
CAS DataBase Reference: 3247 · 3247-00-5
Symbol(GHS): 7 · GHS07,GHS08,GHS09,GHS02
Signal word: Danger
Hazard statements: 315 · H315-H336-H304-H410-H225
Precautionary statements: 501 · P501-P261-P273-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P391-P331-P362+P364-P303+P361+P353-P332+P313-P301+P310-P304+P340+P312-P403+P233-P403+P235-P405
Safety Statements: 22 · 22-24/25

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS08,GHS09,GHS02
safety_code: 22-24/25
Hazard statements: H315-H336-H304-H410-H225
Precautionary statements: P501-P261-P273-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P391-P331-P362+P364-P303+P361+P353-P332+P313-P301+P310-P304+P340+P312-P403+P233-P403+P235-P405