103-95-7

Name 3-(4-ISOPROPYLPHENYL)ISOBUTYRALDEHYDE
CAS 103-95-7
EINECS(EC#) 203-161-7
Molecular Formula C13H18O
MDL Number MFCD00024160
Molecular Weight 190.28
MOL File 103-95-7.mol

Chemical Properties

Boiling point  270 °C(lit.)
density  0.95 g/mL at 25 °C(lit.)
vapor pressure  0.3Pa at 20℃
FEMA  2743
refractive index  n20/D 1.505(lit.)
Fp  228 °F
storage temp.  Inert atmosphere,Room Temperature
solubility  Chloroform (Slightly), Ethyl Acetate, Methanol (Slightly)
form  Oil
color  Colourless liquid.
Odor Powerful floral-green with a characteristic cucumber-melon note used in floral types.
biological source synthetic
Odor Type floral
Water Solubility  66mg/L at 20℃
JECFA Number 1465
Henry's Law Constant 2.3×10-1 mol/(m3Pa) at 25℃, Dupeux et al. (2022)
Stability: Hygroscopic
Major Application flavors and fragrances
Cosmetics Ingredients Functions FRAGRANCE
InChI 1S/C13H18O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,9-11H,8H2,1-3H3
InChIKey ZFNVDHOSLNRHNN-UHFFFAOYSA-N
SMILES CC(C)c1ccc(CC(C)C=O)cc1
LogP 3.4 at 35℃
CAS DataBase Reference 103-95-7(CAS DataBase Reference)
EPA Substance Registry System Benzenepropanal, .alpha.-methyl-4-(1-methylethyl)- (103-95-7)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H317-H412
Precautionary statements  P261-P264-P272-P273-P280-P302+P352
Hazard Codes  Xi
Risk Statements 
R38:Irritating to the 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 .
WGK Germany  2
RTECS  MW4900000
TSCA  TSCA listed
REACH Registrations Active
HS Code  29122990
Storage Class 10 - Combustible liquids
Hazard Classifications Aquatic Chronic 3
Skin Irrit. 2
Skin Sens. 1B
Safety Profile
Moderately toxic by ingestion. A human skin irritant. See also ALDEHYDES. When heated to decomposition it emits acrid smoke and irritating fumes.
Toxicity
The acute oral LD50 value in rats was reported as 3*81 g/kg (Jenner, Hagan, Taylor, Cook & Fitzhugh, 1964).

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