Basic information
- CAS
2284-30-2- Standard SMILES
Oc1ccc(Cc2ccccc2)c(O)c1- InChIKey
QVFIWTNWKHFVEH-UHFFFAOYSA-N- Molecular formula
- C13H12O2
- Average molar mass
- 200.23 g/mol
- Monoisotopic mass
- 200.08372962
Names & identifiers
- Preferred name
- 1,3-Benzenediol, 4-(phenylmethyl)-
- IUPAC
- 4-benzylbenzene-1,3-diol
- English name
- 4-BENZYLRESORCINOL
- Molecular formula
- C13H12O2
- Molecular weight
- 200.23
Names & synonyms
4-Benzylresorcinol2284-30-24-Benzyl resorcinol1,3-Benzenediol, 4-(phenylmethyl)-Resorcinol, 4-benzyl-BRN 2212106EINECS 218-922-9DTXSID90623063-06-00-05404 (Beilstein Handbook Reference)RefChem:413768DTXCID5036763218-922-9
Show more names
Benzylresorcinol4-benzyl-resorcino4-Benzylresorcinol>4-BENZYLRESORCINOL 95+%4-(phenylmethyl)-3-benzenediol4-(phenylmethyl)benzene-1,3-diol1,3-Benzenediol,4-(phenylmethyl)-
4-benzylbenzene-1,3-diolMFCD00059620CHEMBL3109721p-Benzylresorcinol4-Benzyl-1,3-benzenediolRXH9P8G3D74-benzyl-benzene-1,3-diolSCHEMBL68292
Database identifiers
- CAS
2284-30-2- PubChem CID
- 75294
- DTXSID
DTXSID9062306- ChEMBL
CHEMBL3109721- UNII
- RXH9P8G3D7
- EC Number
- 218-922-9
- Nikkaji
- J48.380J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 187
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 79 °C · 79°C
- Boiling point
- 215 °C · 215°C 12mm
- Density
- 1.0907 · 1.0907 (rough estimate)
- refractive index
- 1.593 · 1.5930 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to crystal
- color
- White to Light yellow to Light orange
- CAS DataBase Reference
- 2284 · 2284-30-2
- FDA UNII
- 9 P8G3D7 · RXH9P8G3D7
- EPA Substance Registry System
- 1 · 1,3-Benzenediol, 4-(phenylmethyl)- (2284-30-2)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- rtecs
- VH0175000
- hs_code
- 2907.29.9000
- Toxicity
- LD50 ivn-mus: 73 mg/kg BJPCAL 22,221,64
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 36/37/39
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Benzenediol, 4-(phenylmethyl)-: INACTIVE
Suppliers24 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
重庆欣博曜生物科技有限公司19122915778 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Related reactions
10 records
Compound notes
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