Bishydroxyphenylbutane

Description

Bishydroxyphenylbutane · CAS 77-40-7 · C16H18O2. UNII 1RC731TJJA. Melting Point: 120.5 °C; Collision Cross Section: 167.17 Ų [M-H]-.

Identification

CAS Registry Number	77-40-7
PubChem CID	66166
Molecular formula	C16H18O2
IUPAC name	4-[2-(4-hydroxyphenyl)butan-2-yl]phenol
UNII (FDA)	1RC731TJJA

Computed Descriptors

Molecular Weight	242.31
XLogP3	3.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	242.130679813
Monoisotopic Mass	242.130679813
Topological Polar Surface Area	40.5
Heavy Atom Count	18
Formal Charge	0

Physical & Chemical Properties

Melting Point	120.5 °C
Collision Cross Section	167.17 Ų [M-H]-

Physical description & handling notes

• Crystal or tan granules
• Approximate solubility per 100 g: water <0.1 g
• Approximate solubility per 100 g: acetone 266 g; benzene 2.3 g; carbon tetrachloride <0.1 g; ether 133 g; methanol 166 g; V.M.P. naphtha <0.1 g
• 165.8 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4022442]

Regulatory Status

Regulatory & Food Contact	FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS

GHS Hazard Classification

Reported hazard statements	H302 (95.2%), H319 (100%), H413 (92.9%)

Documented Uses

• In the manufacture of phenolic resins.
• Manufacture of polycarbonate resin
• ... Prepared from phenol and ethyl methyl ketone

Synonyms

Bisphenol B; 77-40-7; 2,2-Bis(4-hydroxyphenyl)butane; 4,4'-(1-Methylpropylidene)bisphenol; p,p'-sec-Butylidenediphenol; DTXSID4022442; 1RC731TJJA; DTXCID002442; 4-[1-(4-hydroxyphenyl)-1-methyl-propyl]phenol; 4-(1-(4-hydroxyphenyl)-1-methyl-propyl)phenol; RefChem:120503; 201-025-1; 4,4'-(Butane-2,2-diyl)diphenol; Phenol, 4,4'-(1-methylpropylidene)bis-; bisphenol-B; EINECS 201-025-1

Frequently Asked Questions

What are the CAS number and molecular formula of Bishydroxyphenylbutane?

CAS 77-40-7; molecular formula C16H18O2; molecular weight — g/mol.

What other names is Bishydroxyphenylbutane known by?

Bisphenol B, 77-40-7, 2,2-Bis(4-hydroxyphenyl)butane, 4,4'-(1-Methylpropylidene)bisphenol, p,p'-sec-Butylidenediphenol, DTXSID4022442.

What is the regulatory status of Bishydroxyphenylbutane?

Documented regulatory listings: FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS.

Is Bishydroxyphenylbutane classified as hazardous?

Hazard statements reported: H302, H319, H413.

What are the key physical properties of Bishydroxyphenylbutane?

Melting Point: 120.5 °C; Collision Cross Section: 167.17 Ų [M-H]-.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.