5-Propylbenzene-1,3-diol - CAS 500-49-2
Catalog:
BB047278
Product Name:
5-Propylbenzene-1,3-diol
CAS:
500-49-2
Synonyms:
Divarin; 1,3-Benzenediol, 5-propyl-; Divarinol
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BB047278
100 mg
$319
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IUPAC Name: 5-propylbenzene-1,3-diol
Description: 5-Propylbenzene-1,3-diol (CAS# 500-49-2 ) is a useful research chemical.
Molecular Weight: 152.19
Molecular Formula: C9H12O2
Canonical SMILES: CCCC1=CC(=CC(=C1)O)O
InChI: InChI=1S/C9H12O2/c1-2-3-7-4-8(10)6-9(11)5-7/h4-6,10-11H,2-3H2,1H3
InChI Key: FRNQLQRBNSSJBK-UHFFFAOYSA-N
Boiling Point: 284.8 °C at 760 mmHg
Melting Point: >85 °C (dec.)
Density: 1.122 g/cm3
Appearance: White to brown solid
GHS Hazard Statement: H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement: 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
Signal Word: Warning
Complexity: 104
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 152.083729621
Formal Charge: 0
Heavy Atom Count: 11
Hydrogen Bond Acceptor Count: 2
Hydrogen Bond Donor Count: 2
Isotope Atom Count: 0
Monoisotopic Mass: 152.083729621
Rotatable Bond Count: 2
Topological Polar Surface Area: 40.5
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 2.6
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