123-11-5

Name Anisic aldehyde
CAS 123-11-5
EINECS(EC#) 204-602-6
Molecular Formula C8H8O2
MDL Number MFCD00003385
Molecular Weight 136.15
MOL File 123-11-5.mol

Chemical Properties

Appearance clear colorless to pale yellowish liquid
Melting point  -1 °C
Boiling point  248 °C(lit.)
density  1.121
vapor density  4.7 (vs air)
vapor pressure  <1 hPa (20 °C)
FEMA  2670
refractive index  n20/D 1.573(lit.)
Fp  228 °F
storage temp.  Refrigerator
solubility  2g/l
form  Liquid
color  Clear colorless to yellow
PH 7 (2g/l, H2O, 20℃)
biological source synthetic
explosive limit 1.4-5.3%(V)
Odor Type anisic
Water Solubility  Miscible with acetone, alcohol, ether, chloroform and benzene. Immiscible with water.
Decomposition  > 160°C
Sensitive  Air Sensitive
Detection Methods GC,NMR
JECFA Number 878
Merck  14,663
BRN  471382
Henry's Law Constant 2.4×101 mol/(m3Pa) at 25℃, Ji et al. (2008)
Dielectric constant 15.8(20℃)
Major Application cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care
Cosmetics Ingredients Functions PERFUMING
FRAGRANCE
InChI 1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
InChIKey ZRSNZINYAWTAHE-UHFFFAOYSA-N
SMILES [H]C(=O)c1ccc(OC)cc1
LogP 1.56 at 25℃
Uses
p-Anisaldehyde is a flavoring agent that is a colorless or faintly yellow liquid, hawthorn-like odor. It is miscible in alcohol, ether, and most fixed oils, soluble in propylene glycol, insoluble in glycerin, water, and mineral oil. It is obtained by synthesis. It is also termed anise aldehyde and p-methoxybenzaldehyde.
CAS DataBase Reference 123-11-5(CAS DataBase Reference)
NIST Chemistry Reference Benzaldehyde, 4-methoxy-(123-11-5)
EPA Substance Registry System 123-11-5(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Flame (GHS02)Corrosion (GHS05)Health Hazard (GHS08)
GHS07,GHS02,GHS05,GHS08
Signal word  Danger
Hazard statements  H412
Precautionary statements  P273-P501
Hazard Codes  Xn,Xi,T,F
Risk Statements 
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
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.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37:Wear suitable protective clothing and gloves .
S16:Keep away from sources of ignition-No smoking .
S7:Keep container tightly closed .
WGK Germany  1
RTECS  BZ2625000
10-23
Autoignition Temperature 220 °C
TSCA  Yes
REACH Registrations Active
HazardClass  IRRITANT
HS Code  29124900
Storage Class 10 - Combustible liquids
Hazard Classifications Aquatic Chronic 3
Repr. 2
Safety Profile
Moderately toxic by ingestion. A skin irritant. Mutation data reported. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes
Hazardous Substances Data 123-11-5(Hazardous Substances Data)

Hazard Information

Material Safety Data Sheet(MSDS)

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