1-Phenyl-3-methyl-3-pentanol Structure

1-Phenyl-3-methyl-3-pentanol

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 | 1-PHENYL-3-METHYL-3-PENTANOL
refractive index  n20/D 1.511(lit.)
FLAVIS Number 02.037 | 3-Methyl-1-phenylpentan-3-ol
Flash point >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)
Specific Gravity 0.958
color  Colorless to Almost colorless
Odor at 100.00 %. sweet fresh cayloxol lilac anisic earthy narcissus peony
Odor Type floral
biological source synthetic
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)
Substances Added to Food (formerly EAFUS) 1-PHENYL-3-METHYL-3-PENTANOL
FDA UNII 53PK0CX9TS
EPA Substance Registry System Benzenepropanol, .alpha.-ethyl-.alpha.-methyl- (10415-87-9)
UNSPSC Code 12164502
NACRES NA.21

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
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
Toxicity rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Cosmetics Toxicology. Vol. 17, Pg. 891, 1979.
NFPA 704:
1
2 0

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1-Phenyl-3-methyl-3-pentanol Chemical Properties,Usage,Production

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