Basic information
- CAS
527-55-9- Standard SMILES
Cc1cc(O)cc(O)c1C- InChIKey
RCNCKKACINZDOI-UHFFFAOYSA-N- Molecular formula
- C8H10O2
- Average molar mass
- 138.16 g/mol
- Monoisotopic mass
- 138.06807956
Overview
from fungus Penicillium spinnlosum; RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- 4,5-Dimethylresorcinol
- IUPAC
- 4,5-dimethylbenzene-1,3-diol
- English name
- 4,5-Dimethylresorcinol
- Molecular formula
- C8H10O2
- Molecular weight
- 138.16
Names & synonyms
4,5-DIMETHYLRESORCINOL527-55-94-MethylorcinolResorcinol, 4,5-dimethyl-1,2-Dimethyl-3,5-dihydroxybenzene1,3-Dihydroxy-4,5-dimethylbenzene3,5-Dihydroxy-1,2-dimethylbenzeneW3FCQ2N8R4NSC-243682DTXSID40200663RefChem:99909DTXCID70123154
Show more names
3,5-Dihydroxy-o-xylene
4,5-dimethylbenzene-1,3-diolo-Xylorcinol1,3-Benzenediol, 4,5-dimethyl-3,2-dimethylbenzene4,5-Dimethyl-1,3-benzenediol1,5-dihydroxybenzeneNSC 243682Resorcinol,5-dimethyl-
Database identifiers
- CAS
527-55-9- PubChem CID
- 10697
- DTXSID
DTXSID40200663- UNII
- W3FCQ2N8R4
- EC Number
- 610-895-5
- Nikkaji
- J101.257F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 114
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 135 · 135-137 C
- Boiling point
- 213.57 °C · 213.57°C (rough estimate)
- Density
- 1.1994 · 1.1994
- refractive index
- 1.5231 · 1.5231 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- 10.18 · 10.18±0.23(Predicted)
- LogP
- 1.68 · 1.680 (est)
- FDA UNII
- 3 FCQ2N8R4 · W3FCQ2N8R4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xi
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37
- Hazard statements
- H302-H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
Uses4,5-Dimethylbenzene-1,3-diol is a useful research chemical used in the protection of phenolic groups.
Upstream & downstream products
Downstream products
Suppliers14 total
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-15350571055 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD
Related reactions
1 records
Compound notes
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