105-67-9

Name 2,4-Dimethylphenol
CAS 105-67-9
EINECS(EC#) 203-321-6
Molecular Formula C8H10O
MDL Number MFCD00002233
Molecular Weight 122.16
MOL File 105-67-9.mol

Chemical Properties

Appearance clear colorless to yellow liquid
Melting point  22-23 °C(lit.)
Boiling point  211-212 °C(lit.)
density  1.011 g/mL at 25 °C(lit.)
vapor pressure  0.1 mm Hg ( 25 °C)
refractive index  n20/D 1.538(lit.)
Fp  205 °F
storage temp.  2-8°C
solubility  5.0g/l
form  Liquid
pka pK1:10.58 (25°C)
color  Clear colorless to yellow
Odor at 100.00 %. weak smoky roasted dark
biological source synthetic
explosive limit 1.4%(V)
Odor Type smoky
Water Solubility  0.5 g/100 mL (25 ºC)
Merck  14,10082
BRN  636244
Henry's Law Constant 42.8(x 10-6 atm?m3/mol) at 75.9 °C, 74.0 at 88.7 °C, 113.0 at 98.5 °C (VLE circulation still-UV spectrophotometry, Dohnal and Fenclová, 1995)
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3
InChIKey KUFFULVDNCHOFZ-UHFFFAOYSA-N
SMILES Cc1ccc(O)c(C)c1
LogP 2.61
CAS DataBase Reference 105-67-9(CAS DataBase Reference)
NIST Chemistry Reference Phenol, 2,4-dimethyl-(105-67-9)
EPA Substance Registry System 105-67-9(EPA Substance)

Safety Data

Symbol(GHS)  Corrosion (GHS05)Skull and Crossbones (GHS06)Environment (GHS09)
GHS05,GHS06,GHS09
Signal word  Danger
Hazard statements  H301+H311-H314-H411
Precautionary statements  P273-P280-P301+P310+P330-P301+P330+P331-P303+P361+P353-P305+P351+P338
Hazard Codes  T,N,F
Risk Statements 
R24/25:Toxic in contact with skin and if swallowed .
R34:Causes burns.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R39/23/24/25:Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R11:Highly Flammable.
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) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S36/37:Wear suitable protective clothing and gloves .
S16:Keep away from sources of ignition-No smoking .
S7:Keep container tightly closed .
RIDADR  UN 2261 6.1/PG 2
WGK Germany  3
RTECS  ZE5600000
Autoignition Temperature 480 °C
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
Aquatic Chronic 2
Eye Dam. 1
Skin Corr. 1B
Skin Sens. 1B
Safety Profile
Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion and skin contact. Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also other xylenol entries.
Hazardous Substances Data 105-67-9(Hazardous Substances Data)
Toxicity
Acute oral LD50 for mice 809 mg/kg, rats 3,200 mg/kg (quoted, RTECS, 1985).

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

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