P-Tolualdehyde
Catalog Number
ACM104870
CAS
104-87-0
IUPAC Name
4-methylbenzaldehyde
Synonyms
4-Methylbenzaldehyde
Molecular Weight
120.15
Molecular Formula
C8H8O
Product Information
Description
Liquid;Liquid;Liquid
Canonical SMILES
CC1=CC=C(C=O)C=C1
Inchi
InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
InChIKey
FXLOVSHXALFLKQ-UHFFFAOYSA-N
Boiling Point
82-85 °C at 11 mmHg
Melting Point
-6°C
Flash Point
80°C
Purity
>98.0%(GC)
Density
1.015
Solubility
0.02 M;2.27 mg/mL at 25 °C;Miscible with ethanol, ethyl ether, acetone; very soluble in chloroform;In water, 2.27X10+3 mg/L at 25 °C;2.27 mg/mL at 25 °C
Appearance
Clear to pale yellow liquid
storage
Store under inert gas
Complexity
91
Hazard Statements
H302 + H312 : Harmful if swallowed or in contact with skin.H315 : Causes skin irritation.H319 : Causes serious eye irritation.H227 : Combustible liquid.
Heavy Atom Count
9
Hydrogen Bond Acceptor Count
1
Hydrogen Bond Donor Count
0
MDL Number
MFCD00006954
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P270 : Do not eat, drink or smoke when using this product.P210 : Keep away from heat/sparks/open flames/hot surfaces. No smoking.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P370 + P378 : In case of fire: Use dry sand, dry chemical or alcohol-resistant foam to extinguish.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P403 + P235 : Store in a well-ventilated place. Keep cool.
Reaxys Registry Number
385772
Refractive Index
1.542-1.548
Rotatable Bond Count
1
Signal Word
Warning
Specific Gravity
1.02
Monoisotopic Mass
120.0575
Topological Polar Surface Area
17.1 Ų
Exact Mass
120.0575
Odor
Floral odor
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