10415-87-9

Name 1-PHENYL-3-METHYL-3-PENTANOL
CAS 10415-87-9
EINECS(EC#) 233-889-0
Molecular Formula C12H18O
MDL Number MFCD00021825
Molecular Weight 178.27
MOL File 10415-87-9.mol
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Chemical Properties

Melting point  3 °C
Boiling point  112-112.5 °C0.8 mm Hg(lit.)
density  0.938 g/mL at 25 °C(lit.)
FEMA  2883
refractive index  n20/D 1.511(lit.)
Fp  >230 °F
storage temp.  Sealed in dry,Room Temperature
solubility  Almost insoluble in water, soluble in alcohol and oils.
form  clear liquid
pka 15.17±0.29(Predicted)
color  Colorless to Almost colorless
Specific Gravity 0.958
Odor at 100.00 %. sweet fresh cayloxol lilac anisic earthy narcissus peony
biological source synthetic
Odor Type floral
JECFA Number 1649
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C12H18O/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3
InChIKey AEJRTNBCFUOSEM-UHFFFAOYSA-N
SMILES OC(CCc1ccccc1)(CC)C
LogP 3.11
CAS DataBase Reference 10415-87-9(CAS DataBase Reference)
EPA Substance Registry System Benzenepropanol, .alpha.-ethyl-.alpha.-methyl- (10415-87-9)
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Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and 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  SA7624000
TSCA  TSCA listed
HS Code  2906.29.6000
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Safety Profile
Moderately toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
Toxicity
rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Cosmetics Toxicology. Vol. 17, Pg. 891, 1979.

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