4-Ethylresorcinol - CAS 2896-60-8
Catalog: |
BB020029 |
Product Name: |
4-Ethylresorcinol |
CAS: |
2896-60-8 |
Synonyms: |
4-ethylbenzene-1,3-diol |
IUPAC Name: | 4-ethylbenzene-1,3-diol |
Description: | 4-Ethylresorcinol (CAS# 2896-60-8) is a useful research chemical. |
Molecular Weight: | 138.16 |
Molecular Formula: | C8H10O2 |
Canonical SMILES: | CCC1=C(C=C(C=C1)O)O |
InChI: | InChI=1S/C8H10O2/c1-2-6-3-4-7(9)5-8(6)10/h3-5,9-10H,2H2,1H3 |
InChI Key: | VGMJYYDKPUPTID-UHFFFAOYSA-N |
Boiling Point: | 273.8 °C at 760 mmHg |
Density: | 1.159 g/cm3 |
Appearance: | Off-white to tan powder |
MDL: | MFCD00002283 |
LogP: | 1.66020 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
20723597 | 20101028 | Application of a combined sulphorhodamine B and melanin assay to the evaluation of Chinese medicines and their constituent compounds for hyperpigmentation treatment | Journal of ethnopharmacology |
15215657 | 20040501 | Occupational exposure to aromatic hydrocarbons at a coke plant: Part I. Identification of hydrocarbons in air and their metabolites in urine by a gas chromatography-mass spectrometry method | Journal of occupational health |
Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.068079557 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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