Basic information
- Standard SMILES
Oc1ccc(-c2ccc(O)cc2)cc1- InChIKey
VCCBEIPGXKNHFW-UHFFFAOYSA-N- Molecular formula
- C12H10O2
- Average molar mass
- 186.21 g/mol
- Monoisotopic mass
- 186.06807956
Names & identifiers
- Preferred name
- 4,4'-Dihydroxybiphenyl
- IUPAC
- 4-(4-hydroxyphenyl)phenol
- English name
- 4,4'-Biphenol
- Molecular formula
- C12H10O2
- Molecular weight
- 186.21
Names & synonyms
Show more names
Database identifiers
- CAS
92-88-6- PubChem CID
- 7112
- DTXSID
DTXSID1029120- ChEMBL
CHEMBL76398- ChEBI
CHEBI:34367- UNII
- R8994A0904
- EC Number
- 202-200-5
- Nikkaji
- J45.978J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 145
Experimental & physicochemical properties
Physical Description
Dry Powder; Other Solid
Off-white, light beige, or light gray odorless powder; [Acros Organics MSDS]
Kovats Retention Index
1979
2046
Physicochemical properties
- Melting point
- 280 · 280-282 °C(lit.)
- Boiling point
- 280.69 °C · 280.69°C (rough estimate)
- Density
- 1.22 · 1.22
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 1.601 · 1.6010 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 9.74 · 9.74±0.26(Predicted)
- form
- Powder
- color
- Off-white to light beige or light gray
- Water Solubility
- sparingly soluble
- BRN
- 1908886 · 1908886
- Cosmetics Ingredients Functions
- BLEACHINGSKIN PROTECTING
- InChI
- 1S/C12H10O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H
- InChIKey
- VCCBEIPGXKNHFW-UHFFFAOYSA-N
- SMILES
- Oc1ccc(cc1)-c2ccc(O)cc2
- LogP
- 2.7 at · 2.7 at 20℃
- CAS DataBase Reference
- 92 · 92-88-6(CAS DataBase Reference)
- EWG's Food Scores
- 2 · 2
- FDA UNII
- 8994 A0904 · R8994A0904
- NIST Chemistry Reference
- p,p'-Biphenol(92-88-6)
- EPA Substance Registry System
- 4 · 4,4'-Biphenyldiol (92-88-6)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 252 · H252-H317-H412
- Precautionary statements
- 235 · P235-P261-P272-P273-P280-P302+P352
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 21 · 21-36/37/38-37/38/68-36
- Safety Statements
- 26 · 26-36-24/25-36/37
- RIDADR
- 3077 · 3077
- WGK Germany
- 2 · 2
- RTECS
- 4725000 · DV4725000
- TSCA
- TSCA listed
- HazardClass
- 9 · 9
- PackingGroup
- III
- HS Code
- 29061900 · 29061900
- Storage Class
- 4.2 · 4.2 - Pyrophoric and self-heating hazardous materials
- Hazard Classifications
- 3 Self-heat · Aquatic Chronic 3Self-heat. 2Skin Sens. 1
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 9850 mg/kg TXAPA9 28,313,74
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.5% (1 of 211) of reports.
Warning
H312 (44.1%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (26.1%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (55.9%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (25.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (25.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H411 (18.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard];H412 (55.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 211 reports by companies from 15 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 211 reports by companies.;There are 14 notifications provided by 210 of 211 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: [1,1'-Biphenyl]-4,4'-diol
[1,1'-Biphenyl]-4,4'-diol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of [1,1'-Biphenyl]-4,4'-diol 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)
Status: Active Update: 30-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15910;Status: Active Update: 07-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22776
Hazards Summary
Showed estrogenic activity in Saccharomyces cerevisiae hER in vivo assays; [EPA - TSCATS] Abnormal urinalysis, reversible gross and histopathological liver changes in males, and no evidence of reproductive or developmental toxicity observed in oral study of rats; [JECDB] May cause skin sensitization; [ECHA REACH Registrations] An irritant; Harmful by skin absorption; [Acros Organics MSDS] See Biphenyl.
Hazard Classes and Categories
Acute Tox. 4 (44.1%);Skin Irrit. 2 (26.1%);Skin Sens. 1 (55.9%);Eye Irrit. 2 (25.6%);STOT SE 3 (25.1%);Aquatic Chronic 2 (18.5%);Aquatic Chronic 3 (55.5%)
Acute toxicity (Dermal) - Category 4;Germ cell mutagenicity - Category 2;Hazardous to the aquatic environment (Acute) - Category 2;Hazardous to the aquatic environment (Long-term) - Category 2
Skin sensitization - Category 1;Hazardous to the aquatic environment (Acute) - Category 2;Hazardous to the aquatic environment (Long-term) - Category 2
Toxicology
Regulatory information
Regulatory Information
Chemical: [1,1'-Biphenyl]-4,4'-diol
[1,1'-Biphenyl]-4,4'-diol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of [1,1'-Biphenyl]-4,4'-diol 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)
Status: Active Update: 30-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15910;Status: Active Update: 07-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22776
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- DV4725000
- ridadr
- 3077
- hs_code
- 29061900
- Toxicity
- LD50 orl-rat: 9850 mg/kg TXAPA9 28,313,74
- risk_code
- 21-36/37/38-37/38/68-36
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xn
- safety_code
- 26-36-24/25-36/37
- hazard_class
- 9
- Storage Class
- 4.2 - Pyrophoric and self-heating hazardous materials
- packing_group
- III
- Hazard statements
- H252-H317-H412
- REACH Registrations
- Active
- Hazard Classifications
- Aquatic Chronic 3Self-heat. 2Skin Sens. 1
- Precautionary statements
- P235-P261-P272-P273-P280-P302+P352
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing;Plastics Material and Resin Manufacturing
[1,1'-Biphenyl]-4,4'-diol: ACTIVE
Applications
Uses4,4'-biphenol be used intermediate liquid crystal polymers raw materials. Synthetic polymers, due to its excellent heat resistance, it is used as polyester, urethane modified monomer, polycarbonate, polysulfone, and epoxy resin, for the manufacture of an excellent engineering plastics and composite materials. Antioxidant antioxidants for rubber and plastics. Dye intermediates or petroleum products stabilizer.
UsesBiphenol is an intermediate used in the manufacture of thermoplastics such as liquid crystalline polymers (LCP), polyesters, polycarbonates and polysulfones.
UsesIntermediates of Liquid Crystals
DescriptionPPIase Human Recombinant produced in E.Coli is a single, non-glycosylated polypeptide chain containing 163 amino acids & having a molecular mass of 18.2 kDa. The PIN1 is purified by proprietary chromatographic techniques.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Additional notes
DefinitionChEBI: A member of the class of hydroxybiphenyls that is biphenyl with hydroxy groups at positions 4 and 4'.
Related reactions
Linked notes
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