104-87-0

Name p-Tolualdehyde
CAS 104-87-0
EINECS(EC#) 203-246-9
Molecular Formula C8H8O
MDL Number MFCD00006954
Molecular Weight 120.15
MOL File 104-87-0.mol

Chemical Properties

Appearance clear colorless to pale yellow liquid
Melting point  -6 °C
Boiling point  204-205 °C (lit.) 82-85 °C/11 mmHg (lit.)
density  1.019 g/mL at 25 °C(lit.)
vapor pressure  0.33 hPa (25 °C)
FEMA  3068
refractive index  n20/D 1.545(lit.)
Fp  176 °F
storage temp.  Store below +30°C.
solubility  water: soluble0.25 g/L at 25°C
form  Liquid
color  Clear colorless to yellow
Odor at 5.00 % in dipropylene glycol. fruity cherry deep phenolic
biological source synthetic
explosive limit 0.9-5.6%(V)
Odor Type fruity
Water Solubility  0.25 g/L (25 ºC)
Sensitive  Air Sensitive
BRN  385772
Henry's Law Constant 5.3×10-1 mol/(m3Pa) at 25℃, Brockbank (2013)
Cosmetics Ingredients Functions FRAGRANCE
InChI 1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
InChIKey FXLOVSHXALFLKQ-UHFFFAOYSA-N
SMILES [H]C(=O)c1ccc(C)cc1
LogP 2.25
CAS DataBase Reference 104-87-0(CAS DataBase Reference)
NIST Chemistry Reference Benzaldehyde, 4-methyl-(104-87-0)
Storage Precautions Store under nitrogen
EPA Substance Registry System 104-87-0(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319
Precautionary statements  P264-P270-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R36/38:Irritating to eyes and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
RIDADR  NA 1993 / PGIII
WGK Germany  1
RTECS  CU7034500
F  9-23
Autoignition Temperature 395 °C DIN 51794
TSCA  Yes
REACH Registrations Active
HS Code  29122900
Storage Class 10 - Combustible liquids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
Hazardous Substances Data 104-87-0(Hazardous Substances Data)
Toxicity
LD50 orally in Rabbit: 1600 mg/kg

Hazard Information

Material Safety Data Sheet(MSDS)

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