104-55-2

Name Cinnamaldehyde
CAS 104-55-2
EINECS(EC#) 203-213-9
Molecular Formula C9H8O
MDL Number MFCD00007000
Molecular Weight 132.16
MOL File 104-55-2.mol

Chemical Properties

Appearance Combustible, yellowish, oily liquid (thickens on exposure to air). Strong pungent, spicy, cinnamon odor.
Melting point  −9-−4 °C(lit.)
Boiling point  250-252 °C(lit.)
density  1.05 g/mL at 25 °C(lit.)
vapor density  4.6 (vs air)
vapor pressure  <0.1 hPa (20 °C)
FEMA  2286
refractive index  n20/D 1.622(lit.)
Fp  160 °F
storage temp.  Store below +30°C.
solubility  1g/l soluble
form  Liquid
pka 0[at 20 ℃]
color  Clear yellow
Specific Gravity 1.05
Odor Strong odor of cinnamon
Stability: Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.
biological source cassia oil
Odor Type spicy
Water Solubility  Slightly soluble
JECFA Number 656
Merck  13,2319
Henry's Law Constant 2.8×100 mol/(m3Pa) at 25℃, HSDB (2015)
Dielectric constant 16.9(24℃)
Major Application flavors and fragrances
Cosmetics Ingredients Functions FLAVOURING
DENATURANT
PERFUMING
InChI 1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
Contact allergens
This perfumed molecule is used as a fragrance in perfumes, a flavoring agent in soft drinks, ice creams, dentifrices, pastries, chewing-gum, etc. It can induce both contact urticaria and delayed-type reactions. It can be responsible for dermatitis in the perfume industry or in food handlers. Cinnamic aldehyde is contained in “fragrance mix.” As a fragrance allergen, it has to be mentioned by name in cosmetics within the EU.
InChIKey KJPRLNWUNMBNBZ-QPJJXVBHSA-N
SMILES O=C\C=C\c1ccccc1
LogP 1.83-2.1 at 25-27℃
CAS DataBase Reference 104-55-2(CAS DataBase Reference)
NIST Chemistry Reference Cinnamylaldehyde(104-55-2)
EPA Substance Registry System 104-55-2(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H317-H319-H335
Precautionary statements  P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R43:May cause sensitization by skin contact.
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 .
RIDADR  UN8027
WGK Germany  3
RTECS  GD6476000
F  10-23
TSCA  TSCA listed
REACH Registrations Active
HS Code  29122900
Storage Class 10 - Combustible liquids
Hazard Classifications Acute Tox. 4 Dermal
Aquatic Chronic 3
Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1
Safety Profile
Poison by intravenous and parenteral routes. Moderately toxic by ingestion and intraperitoneal routes. A severe human skin irritant. Mutation data reported. Combustible liquid. May ipte after a delay period in contact with NaOH. When heated to decomposition it emits acrid smoke and fumes. See also ALDEHYDES.
Hazardous Substances Data 104-55-2(Hazardous Substances Data)
Toxicity
LD50 in rats (mg/kg): 2220 orally (Jenner)

Hazard Information

Material Safety Data Sheet(MSDS)

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