2-Benzylphenol

HCID 24216
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
1322-51-6
Standard SMILES
Oc1ccccc1Cc1ccccc1
InChIKey
CDMGNVWZXRKJNS-UHFFFAOYSA-N
Molecular formula
C13H12O
Average molar mass
184.23 g/mol
Monoisotopic mass
184.088815

Names & identifiers

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

Names & synonyms

2-Benzylphenol28994-41-42-Hydroxydiphenylmethaneo-BenzylphenolPhenol, 2-(phenylmethyl)-SF555BL24ODTXSID0067428ortho-benzylphenolRefChem:855205DTXCID9037903249-361-8Benzylphenol
Show more names
A-PHENYL-O-CRESOLα-Phenyl-o-cresol2-Benzylphenol>2-Benzylphenol,99%ALPHA-PHENYLCRESOLORTHO BENZYL PHENOL
Delegol T2-(Phenylmethyl)phenol1322-51-62-Benzyl-phenol2-benzyl phenolo-Cresol, .alpha.-phenyl-MFCD00002242CHEMBL122649

Database identifiers

CAS
1322-51-6、28994-41-4
PubChem CID
24216
DTXSID
DTXSID0067428
ChEMBL
CHEMBL122649
UNII
SF555BL24O
EC Number
215-339-1、249-361-8
Nikkaji
J94.943D

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
14

Experimental & physicochemical properties

Physical DescriptionLiquid or crystals; mp = 20.2-20.9 deg C; [Merck Index] Light brown crystalline solid; mp = 50-54 deg C; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
49 · 49-51 °C (lit.) 49-51 °C
Boiling point
312 °C · 312 °C (lit.)
Density
1.012 · 1.0120 (rough estimate)
refractive index
20 · nD20 1.59945
Flash point
230 °F · >230 °F
storage temp.
Inert atmosphere,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.

Warning

H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.7%): 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 46 reports by companies from 6 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 46 reports by companies.；There are 5 notifications provided by 45 of 46 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 · 2 items

Status: Active Update: 19-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19809

Phenol, 2-(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. See Phenol.
Hazard Classes and Categories · 2 items

Skin Irrit. 2 (97.8%)；Eye Irrit. 2 (97.8%)；STOT SE 3 (95.7%)

Not Classified

Regulatory information

Regulatory Information · 2 items

Status: Active Update: 19-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19809

Phenol, 2-(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
3
tsca
TSCA listed
hs_code
29071990
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

UsesMetabolite of diphenylmethane. [ChemIDplus]
General Manufacturing InformationPhenol, 2-(phenylmethyl)-: INACTIVE

Applications

Uses2-Benzylphenol was used as starting reagent in the synthesis of 2-benzylacetate. It was also used in the the synthesis of 6- and 8-benzyl derivatives of 2-(dialkylamino)chromones.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Related reactions

17 records
New reaction record

Compound notes

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