orcinol

CAS No. 504-15-4

Formula: C7H8O2
Basic Info

Orcinol is a natural phenolic organic compound that occurs in many species of lichens including Roccella tinctoria and Lecanora. Orcinol has been detected in the "toxic glue" of the ant species Camponotus saundersi.

Formula
C7H8O2
Molecular Weight
124.137
Exact Mass
124.052
LogP
1.4062
PSA
40.46
Synonyms

5-Methylbenzene-1,3-diol

1,3-Dihydroxy-5-methylbenzene

3,5-Dihydroxytoluene

Orcinol

1,3-Benzenediol, 5-methyl-

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Properties
Appearance & Physical State
pink-grey to pink-brown cryst. powder or crystals
Density
1.21g/cm3
Boiling Point
290ºC
Melting Point
105-110ºC
Flash Point
159ºC
Refractive Index
1.5403
Stability
Stable under normal temperatures and pressures. Substance may discolor on exposure to light.
Storage Condition
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from light and air. Store under an inert atmosphere.
Safety Info
RTECS
VH2100000
Safety Statements
S26-S37/39
WGK Germany
3
Risk Statements
R22; R36/37/38
HS Code
29072900
RIDADR
2811
Packing Group
III
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : 90 MHz in DMSO-d6
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IR Spectrum IR : nujol mull
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Mass Spectrum Mass
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Analysis Methods
Van Den Dool and Kratz RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
VF-5MS
Retention index
1378.1
Temperature Control
Method
custom temperature program
Comments
30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C
Reference
Tret'yakov, K.V.Retention Data. NIST Mass Spectrometry Data Center.NIST Mass Spectrometry Data Center, 2008.
Normal alkane RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
DB-5 MS
Retention index
1369.
Temperature Control
Method
temperature ramp
Comments
30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; T<sub>start</sub>: 70. C
Reference
Stojanovic, I.Z.RAdulovic, N.S.Mitrovic, Y.L.J.Stamenkovic, S.M.Stojanovic, G.S.Volatile constituents of selected Parmeliaceae lichensJ. Serb. Chem. Soc.2011, 76, 7, 987-994.

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