98-51-1

Name 4-tert-Butyltoluene
CAS 98-51-1
EINECS(EC#) 202-675-9
Molecular Formula C11H16
MDL Number MFCD00008837
Molecular Weight 148.24
MOL File 98-51-1.mol

Chemical Properties

Appearance colourless liquid
Melting point  -54 °C
Boiling point  191 °C (lit.)
density  0.858 g/mL at 25 °C(lit.)
vapor pressure  1.3hPa at 30℃
refractive index  n20/D 1.492(lit.)
Fp  150 °F
storage temp.  Flammables area
solubility  0.06 g/100 mL (20°C)
form  Liquid
color  Clear colorless to faint yellow
Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
explosive limit 0.7-7%(V)
Water Solubility  0.06 g/100 mL (20 ºC)
BRN  2038670
Henry's Law Constant 7.8×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
Dielectric constant 2.3300000000000001
Exposure limits ACGIH: TWA 1 ppm
OSHA: TWA 10 ppm(60 mg/m3)
NIOSH: IDLH 100 ppm; TWA 10 ppm(60 mg/m3); STEL 20 ppm(120 mg/m3)
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C11H16/c1-9-5-7-10(8-6-9)11(2,3)4/h5-8H,1-4H3
InChIKey QCWXDVFBZVHKLV-UHFFFAOYSA-N
SMILES Cc1ccc(cc1)C(C)(C)C
LogP 4.4
Uses
Solvent, intermediate.
CAS DataBase Reference 98-51-1(CAS DataBase Reference)
NIST Chemistry Reference 4-Tert-butyltoluene(98-51-1)
EPA Substance Registry System 98-51-1(EPA Substance)

Safety Data

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)Environment (GHS09)
GHS02,GHS07,GHS09
Signal word  Warning
Hazard statements  H226-H302+H332-H315-H319-H335-H411
Precautionary statements  P210-P273-P301+P312-P303+P361+P353-P304+P340+P312-P305+P351+P338
Hazard Codes  Xn,T,N
Risk Statements 
R10:Flammable.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R23:Toxic by inhalation.
R22:Harmful if swallowed.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
Safety Statements 
S16:Keep away from sources of ignition-No smoking .
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 .
OEB A
OEL TWA: 10 ppm (60 mg/m3), STEL: 20 ppm (120 mg/m3)
RIDADR  UN 1993 3/PG 3
WGK Germany  2
RTECS  XS8400000
TSCA  Yes
REACH Registrations Active
HazardClass  6.1
PackingGroup  III
HS Code  29029080
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Aquatic Chronic 2
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
Safety Profile
Moderately toxic by inhalation and ingestion. A skin and human eye irritant. Human systemic effects by inhalation: nausea or vomiting, conjunctiva irritation, unspecified effects on the sense of taste. Inhalation of vapors causes irritation of lungs and depression of central nervous system. Prolonged exposure may result in damage to liver and kidneys. Flammable when exposed to heat or flame. Incompatible with oxidizing materials. When heated to decomposition it emits acrid smoke and fumes.
Hazardous Substances Data 98-51-1(Hazardous Substances Data)
IDLA 100 ppm

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

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