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97-54-1

Name ISOEUGENOL
CAS 97-54-1
EINECS(EC#) 202-590-7
Molecular Formula C10H12O2
MDL Number MFCD00009285
Molecular Weight 164.2
MOL File 97-54-1.mol
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Chemical Properties

Appearance light yellow-green viscous liquid
Melting point  -10 °C
Boiling point  266 °C
density  1.082 g/mL at 25 °C
vapor density  >1 (vs air)
vapor pressure  <0.01 mm Hg ( 20 °C)
FEMA  2468
refractive index  n20/D 1.575(lit.)
Fp  >230 °F
storage temp.  0-6°C
solubility  Benzene (Slightly), Chloroform, Methanol (Sparingly)
form  Viscous Liquid
pka 10.10±0.31(Predicted)
color  Clear yellow
Odor at 100.00 %. sweet spicy clove woody allspice carnation floral
Stability: Stable. Incompatible with strong oxidizing agents.
Odor Type spicy
JECFA Number 1260
Merck  14,5171
BRN  1909602
Contact allergens
Isoeugenol is a mixture of two cis and trans isomers. It occurs in ylang-ylang and other essential oils. It is a common allergen of perfumes and cosmetics such as deodorants and is contained in fragrance mix. Its presence in cosmetics is indicated in the INGREDIENTS series. Substitution by esters such as isoeugenyl acetate (not indicated on the package) does not always resolve the allergenic problem, because of the in vivo hydrolysis of the substitute into isoeugenol.
LogP 2.48
Uses
isoeugenol is a volatile oil fraction derived from eugenol. It is also found in ylang-ylang and nutmeg oils. It is used in cosmetics as a fragrance or to mask odor.
CAS DataBase Reference 97-54-1(CAS DataBase Reference)
EPA Substance Registry System Isoeugenol (97-54-1)
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Safety Data

Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
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:Wear suitable protective clothing .
RIDADR  UN1230 - class 3 - PG 2 - Methanol, solution
WGK Germany  2
RTECS  SL7875000
TSCA  Yes
HS Code  29095000
Hazardous Substances Data 97-54-1(Hazardous Substances Data)
Toxicity
LD50 orally in rats: 1560 mg/kg (Jenner)

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