3,4,5-Trimethylphenol
-
3,4,5-Trimethylphenol
structure -
-
CAS No:
527-54-8
-
Formula:
C9H12O
-
Chemical Name:
3,4,5-Trimethylphenol
-
Synonyms:
Phenol,3,4,5-trimethyl-;3,4,5-Trimethylphenol;3,4,5-Hemimellitenol;1-Hydroxy-3,4,5-trimethylbenzene;5-Hydroxy-1,2,3-trimethylbenzene;NSC 65648
-
CAS No:
Description
ChEBI: A phenol that consists of 1,2,3-trimethylbenzene having a single phenolic hydroxy substituent located at position 5.
3,4,5-trimethylphenol is a phenol that consists of 1,2,3-trimethylbenzene having a single phenolic hydroxy substituent located at position 5. It derives from a hydride of a 1,2,3-trimethylbenzene.
3,4,5-Trimethylphenol Basic Attributes
136.194
136.19
208-418-7
8S1I71213X
65648
DTXSID2060175
2907199090
Safety Information
III
UN 2430 8/PG 3
3
R34
S26-S36/37/39-S45
C
P280-P305 + P351 + P338-P310
H314
UN 2430 8/PG 3
Analysis Methods
| Name | Column Shape | Active Phase(℃) | Retention index | Temperature Control | Method | Comments | Reference |
|---|---|---|---|---|---|---|---|
| Kovats' RI, non-polar column, custom temperature program | Capillary | HP-5MS | 1331. | custom temperature program | 30. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 3C/min => 160C => 10C/min => 200C | Alissandrakis E.Tarantilis P.A.Harizanis P.C.Polissiou M.Comparison of the volatile composition in thyme honeys from several origins in GreeceJ. Agric. Food Chem.2007, 55, 20, 8152-8157. | |
| Kovats' RI, non-polar column, custom temperature program | Capillary | DB-5 | 1320. | temperature ramp | 30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min | Rostad, C.E.Pereira, W.E.Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interestJ. Hi. Res. Chromatogr. Chromatogr. Comm.1986, 9, 6, 328-334. | |
| Kovats' RI, non-polar column, custom temperature program | Capillary | TR-1 | 1288. | temperature ramp | 30. m/0.32 mm/0.25 μm, Helium, 5. K/min; Tstart: 50. C; Tend: 300. C | Gruzdev, I.V.Kuzivanov, I.M.Zenkevich, I.G.Kondratenok, B.M.Gas-chromatographic identification of products formed in iodination of methyl phenols by retention indicesRus. J. Appl. Chem.2012, 85, 9, 1355-1365. | |
| Kovats' RI, non-polar column, custom temperature program | Capillary | DB-5 | 1346. | temperature ramp | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 8. K/min, 250. C @ 5. min | Czerny, M.Brueckner, R.Kirchoff, E.Schmitt, R.Buettner, A.The influence of molecular structure on odor qualities and odor detection thresholds of volatile alkylated phenolsChem. Senses2011, 1-15, retrieved from http://chemie.oxfordjournals.org. | |
| Kovats' RI, non-polar column, custom temperature program | Capillary | HP-20M | 2303. | temperature ramp | 50. m/0.2 mm/0.2 μm, He, 70. C @ 4. min, 4. K/min, 180. C @ 15. min | Mastelic, J.Jerkovic, I.Mesic, M.Volatile constituents from flowers, leaves, bark and wood of Prunus mahaleb L.Flavour Fragr. J.2006, 21, 2, 306-313. |
Computed Properties
Molecular Weight:136.19
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:136.088815002
Monoisotopic Mass:136.088815002
Topological Polar Surface Area:20.2
Heavy Atom Count:10
Complexity:99.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes