697-82-5

Name 2,3,5-Trimethylphenol
CAS 697-82-5
EINECS(EC#) 211-806-9
Molecular Formula C9H12O
MDL Number MFCD00002228
Molecular Weight 136.19
MOL File 697-82-5.mol
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Chemical Properties

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)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
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

Hazard Information

Material Safety Data Sheet(MSDS)

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