108-68-9

Name 3,5-Dimethylphenol
CAS 108-68-9
EINECS(EC#) 203-606-5
Molecular Formula C8H10O
MDL Number MFCD00002307
Molecular Weight 122.16
MOL File 108-68-9.mol

Chemical Properties

Appearance 3,5-Xylenol is a crystalline solid.
Melting point  61-64 °C(lit.)
Boiling point  222 °C(lit.)
density  1.115
vapor pressure  5-5.4Pa at 25℃
refractive index  1.5146 (estimate)
Fp  109 °C
storage temp.  room temp
form  Crystalline Solid
pka pK1:10.15 (25°C)
color  White to orange
Odor Strong, “cresylic” odor.
Water Solubility  5.3 g/L (25 ºC)
Sensitive  Air & Light Sensitive
Merck  14,10082
BRN  774117
Henry's Law Constant 1.5×101 mol/(m3Pa) at 25℃, Brockbank (2013)
Exposure limits ACGIH: TWA 1 ppm
InChI 1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3
InChIKey TUAMRELNJMMDMT-UHFFFAOYSA-N
SMILES Cc1cc(C)cc(O)c1
LogP 2.35 at 25.5℃
CAS DataBase Reference 108-68-9(CAS DataBase Reference)
NIST Chemistry Reference Phenol, 3,5-dimethyl-(108-68-9)
EPA Substance Registry System 108-68-9(EPA Substance)

Safety Data

Symbol(GHS)  Corrosion (GHS05)Skull and Crossbones (GHS06)
GHS05,GHS06
Signal word  Danger
Hazard statements  H301+H311-H314
Precautionary statements  P260-P270-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Hazard Codes  T
Risk Statements 
R24/25:Toxic in contact with skin and if swallowed .
R34:Causes burns.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
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) .
RIDADR  UN 2261 6.1/PG 2
WGK Germany  2
RTECS  ZE6475000
TSCA  Yes
REACH Registrations Active
HazardClass  6.1
PackingGroup  II
HS Code  29071400
Storage Class 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 3 Dermal
Acute Tox. 3 Oral
Eye Dam. 1
Skin Corr. 1B
Safety Profile
Poison by intraperitoneal route. Moderately toxic by ingestion. A severe eye irritant. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also other xylenol entries.
Hazardous Substances Data 108-68-9(Hazardous Substances Data)

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Hazard Information

Material Safety Data Sheet(MSDS)

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