4-Benzylphenol

HCID 7563CAS 101-53-1
Substructure searchFind similar structures

Basic information

Standard SMILES
Oc1ccc(Cc2ccccc2)cc1
InChIKey
HJSPWKGEPDZNLK-UHFFFAOYSA-N
Molecular formula
C13H12O
Average molar mass
184.23 g/mol
Monoisotopic mass
184.088815

Names & identifiers

Preferred name
4-Benzylphenol
IUPAC
4-benzylphenol
English name
4-Benzylphenol
Molecular formula
C13H12O
Molecular weight
184.23

Names & synonyms

4-Benzylphenol101-53-1p-BenzylphenolPhenol, 4-(phenylmethyl)-4-HYDROXYDIPHENYLMETHANEFesiaseptDTXSID9047962NSC-8078CS02509J25DTXCID5027938para-benzylphenolRefChem:97985
Show more names
BENZYLPHENOLai3-1932Fesia-sept
202-950-34-Hydroxyditane4-(Phenylmethyl)phenolalpha-Phenyl-p-cresolp-Hydroxydiphenyl methaneNSC 8078p-Cresol, .alpha.-phenyl-MFCD00002384

Database identifiers

CAS
101-53-1
PubChem CID
7563
DTXSID
DTXSID9047962
ChEMBL
CHEMBL611613
UNII
CS02509J25
EC Number
202-950-3
Nikkaji
J95.594I

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
14

Experimental & physicochemical properties

Vapor Pressure0.0000685 [mmHg]
Physical DescriptionSolid; [Merck Index] White crystalline solid; [Alfa Aesar MSDS]
Kovats Retention Index295.4

Physicochemical properties

Melting point
79 · 79-81 °C(lit.)
Boiling point
198 · 198-200 °C10 mm Hg(lit.)
Density
1.012 · 1.0120 (rough estimate)
refractive index
1.5641 · 1.5641 (estimate)
Flash point
320 · 320-322°C
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 InformationPhenol, 4-(phenylmethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Diphenylmethane.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

Regulatory information

Regulatory InformationPhenol, 4-(phenylmethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
2
tsca
TSCA listed
rtecs
SM8330500
hs_code
2907.19.8000
risk_code
36/37/38

Chemistry & industry

Uses & manufacturing

Uses · 2 items

Metabolite of diphenylmethane. [ChemIDplus] Used as a germicide, antiseptic, and preservative, and in organic syntheses; [Merck Index]

Using Disinfectants or Biocides [Category: Clean]

General Manufacturing InformationPhenol, 4-(phenylmethyl)-: INACTIVE

Applications

Uses4-Benzylphenol_x000D_(4-Hydroxydiphenylmethane) (cas# 101-53-1) is a compound useful in organic synthesis.

UsesGermicide, antiseptic, preservative; also in organic syntheses.

Upstream & downstream products

Downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

Related reactions

44 records
New reaction record

Linked notes

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