Basic information
- CAS
136-36-7- Standard SMILES
O=C(Oc1cccc(O)c1)c1ccccc1- InChIKey
GDESWOTWNNGOMW-UHFFFAOYSA-N- Molecular formula
- C13H10O3
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.06299418
Overview
Resorcinol monobenzoate is a benzoate ester resulting from the formal condensation of benzoic acid with resorcinol. It has a role as an allergen. It is functionally related to a resorcinol.
Names & identifiers
- Preferred name
- Resorcinol, monobenzoate
- IUPAC
- (3-hydroxyphenyl) benzoate
- English name
- Resorcinol monobenzoate
- Molecular formula
- C13H10O3
- Molecular weight
- 214.22
Names & synonyms
3-Hydroxyphenyl benzoateResorcinol monobenzoate136-36-71,3-Benzenediol, monobenzoateEastman Inhibitor RMBRESORCINOL, MONOBENZOATEm-hydroxyphenyl benzoate942E82KUWDCHEBI:156556NSC-4807DTXSID1038878RefChem:879463
Show more names
WLN: QR COVReastmaninhibitorrmbRESORCINOL BENZOATEResorcinol 1-benzoateResorcin monobenzoate
DTXCID9018878205-241-7(3-hydroxyphenyl) benzoateBenzoic Acid 3-Hydroxyphenyl EsterBenzoic acid, m-hydroxyphenyl esterMFCD000201181,3-Benzenediol, 1-benzoate3-BENZOYLOXYPHENOL
Database identifiers
- CAS
136-36-7- PubChem CID
- 8690
- DTXSID
DTXSID1038878- ChEMBL
CHEMBL2260450- ChEBI
CHEBI:156556- UNII
- 942E82KUWD
- EC Number
- 205-241-7
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 233
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionDry Powder
Collision Cross Section152.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID1038878]
Physicochemical properties
- Melting point
- 133 · 133-135 °C(lit.)
- Boiling point
- 314.35 °C · 314.35°C (rough estimate)
- Density
- 1.1956 · 1.1956 (rough estimate)
- refractive index
- 1.509 · 1.5090 (estimate)
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 9.12 · 9.12±0.10(Predicted)
- color
- White to Yellow to Orange
- CAS DataBase Reference
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
H302 (98.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 58 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1,3-Benzenediol, monobenzoate
1,3-Benzenediol, 1-benzoate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Benzenediol, 1-benzoate 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)
1,3-Benzenediol, monobenzoate: 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.
Hazard Classes and CategoriesAcute Tox. 4 (98.3%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- VH2800000
- hs_code
- 29182900
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <50,000 lb
General Manufacturing Information1,3-Benzenediol, 1-benzoate: ACTIVE
Applications
UsesResorcinol monobenzoate is used as an ultraviolet stabilizer in certain types of plastic films.
UsesResorcinol monobenzoate is used as UV-light absorber added mainly to outdoor plastics; additive in spectacle frames.
UsesNoncoloring UV inhibitor for various plastics, color stabilizer in cosmetic compositions.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
Related reactions
4 records
Compound notes
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