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96-76-4

Name 2,4-Di-tert-butylphenol
CAS 96-76-4
EINECS(EC#) 202-532-0
Molecular Formula C14H22O
MDL Number MFCD00008828
Molecular Weight 206.32
MOL File 96-76-4.mol
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Chemical Properties

Appearance light yellow crystals
Melting point  53-56 °C(lit.)
Boiling point  265 °C(lit.)
density  0.887
vapor pressure  1 mm Hg ( 84.5 °C)
refractive index  1.5080
Fp  239 °F
storage temp.  Store below +30°C.
solubility  water: soluble0.033g/L at 25°C
form  Crystalline Solid
pka 11.56±0.18(Predicted)
color  White to yellow
PH 4.5 (H2O, 20℃)(saturated aqueous solution)
Stability: Stable. Combustible. Incompatible with acid chlorides, oxidizing agents, acid anhydrides, copper, copper alloys, bases, brass.
Water Solubility  practically insoluble
BRN  1910383
InChI 1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3
InChIKey ICKWICRCANNIBI-UHFFFAOYSA-N
SMILES CC(C)(C)c1ccc(O)c(c1)C(C)(C)C
LogP 4.8 at 23℃
CAS DataBase Reference 96-76-4(CAS DataBase Reference)
NIST Chemistry Reference Phenol, 2,4-bis(1,1-dimethylethyl)-(96-76-4)
EPA Substance Registry System 96-76-4(EPA Substance)
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Safety Data

Hazard Codes  Xi,N,Xn,T,F
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R43:May cause sensitization by skin contact.
R36/38:Irritating to eyes and skin .
R22:Harmful if swallowed.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R41:Risk of serious damage to eyes.
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.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S37/39:Wear suitable gloves and eye/face protection .
S29:Do not empty into drains .
S24:Avoid contact with skin .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
RIDADR  UN 2430 8/PG 3
WGK Germany  2
RTECS  SK8260000
TSCA  Yes
HazardClass  9
PackingGroup  III
HS Code  29071900
Storage Class 8A - Combustible corrosive hazardous materials
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1
Eye Dam. 1
Skin Irrit. 2
Hazardous Substances Data 96-76-4(Hazardous Substances Data)

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