697-82-5

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697-82-5 Structure

Identification	More
[Name] 2,3,5-Trimethylphenol
[CAS] 697-82-5
[Synonyms] 2,3,5-TRIMETHYLPHENOL 6-HYDROXYPSEUDOCUMENE AKOS BBS-00008093 ISOPSEUDOCUMENOL 1-Hydroxy-2,3,5-trimethylbenzene 2,3,5-trimethyl-pheno 2,3,5-Thrimethylphenol 2,3,5-Trimethylphenol/TMP/Isopseudocumenol 2,3,5-TRIMETHYLPHENOL PESTANAL, 250 MG 2,3,5-Trimethylphenol, 98+% Phenol, 2,3,5-trimethyl- 2,3,5-trimethy phenol
[EINECS(EC#)] 211-806-9
[Molecular Formula] C9H12O
[MDL Number] MFCD00002228
[Molecular Weight] 136.19
[MOL File] 697-82-5.mol

Chemical Properties	Back Directory
[Appearance] White to off-white powder
[Melting point ] 92-95 °C (lit.)
[Boiling point ] 230-231 °C (lit.)
[density ] 0,763 g/cm³
[vapor pressure ] 9.75 mm Hg ( 60 °C)
[refractive index ] 1.5118 (estimate)
[Fp ] 230-231°C
[storage temp. ] Store in dark!
[solubility ] insoluble
[form ] neat
[pka] 10.53±0.15(Predicted)
[color ] White to Light yellow
[Odor] woody
[Water Solubility ] insoluble
[Detection Methods] GC,NMR
[BRN ] 2042210
[Henry's Law Constant] 1.2×10¹ mol/(m³Pa) at 25℃, Mackay et al. (2006)
[InChI] 1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3
[InChIKey] OGRAOKJKVGDSFR-UHFFFAOYSA-N
[SMILES] Cc1cc(C)c(C)c(O)c1
[LogP] 3.15
[CAS DataBase Reference] 697-82-5(CAS DataBase Reference)
[NIST Chemistry Reference] Phenol, 2,3,5-trimethyl-(697-82-5)
[EPA Substance Registry System] 697-82-5(EPA Substance)

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H315-H319
[Precautionary statements ] P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
[Hazard Codes ] C,Xi
[Risk Statements ] R34:Causes burns. R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ] S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . S24/25:Avoid contact with skin and eyes .
[RIDADR ] UN 2430 8/PG 3
[WGK Germany ] 3
[TSCA ] Yes
[REACH Registrations] Active
[HazardClass ] 8
[PackingGroup ] III
[HS Code ] 29071900
[Storage Class] 8B - Non-combustible corrosive hazardous materials
[Hazard Classifications] Eye Irrit. 2 Skin Irrit. 2

Raw materials And Preparation Products	Back Directory
[Raw materials] 1,2,4-Trimethylbenzene
[Preparation Products] 2,2,4,6,7-Pentamethyldihydrobenzofuran-5-sulfonyl chloride-->2,2,4,6,7-Pentamethyldihydrobenzofuran-->2,3,5-Trimethylanisole-->2,3,5,6-Tetramethyl phenol-->Etretinate-->(2,3,5-Trimethylphenoxy)acetic acid-->2,3,5-Trimethylphenyl Trifluoromethanesulfonate-->2,2,5,7,8-Pentamethylchroman

Material Safety Data Sheet(MSDS)	Back Directory
[msds information] 2,3,5-Trimethylphenol(697-82-5).msds

Hazard Information	Back Directory
[Chemical Properties] White to off-white powder
[Uses] 2,3,5-Trimethylphenol is mainly used in organic synthesis that it can be used to synthesize tretinoin.
[Definition] ChEBI: 2,3,5-trimethylphenol is a member of phenols. It derives from a hydride of a 1,2,4-trimethylbenzene.
[Preparation] 2,3,5-trimethylphenol can be synthesized from 1,2,4-trimethylbenzene.
[Purification Methods] Crystallise the phenol from water or pet ether. [Beilstein 6 IV 3248.]

Spectrum Detail	Back Directory
[Spectrum Detail] 2,3,5-Trimethylphenol(697-82-5)MS 2,3,5-Trimethylphenol(697-82-5)¹HNMR 2,3,5-Trimethylphenol(697-82-5)¹³CNMR 2,3,5-Trimethylphenol(697-82-5)IR1 2,3,5-Trimethylphenol(697-82-5)IR2 2,3,5-Trimethylphenol(697-82-5)Raman

Well-known Reagent Company Product Information	Back Directory
[Acros Organics] 2,3,5-Trimethylphenol, 98+%(697-82-5)
[Alfa Aesar] 2,3,5-Trimethylphenol, 98+%(697-82-5)
[Sigma Aldrich] 697-82-5(sigmaaldrich)
[TCI AMERICA] 2,3,5-Trimethylphenol,>98.0%(GC)(697-82-5)

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