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3-Phenyl-1-propanol Structure

3-Phenyl-1-propanol

  • Product Name3-Phenyl-1-propanol
  • CAS122-97-4
  • CBNumberCB9690882
  • MFC9H12O
  • MW136.19
  • EINECS204-587-6
  • MDL NumberMFCD00002950
  • MOL File122-97-4.mol

Chemical Properties

Melting point: −18 °C (lit.)
Boiling point: 236 °C
Density  1.00
vapor pressure  1.13-25Pa at 20-25℃
FEMA  2885 | 3-PHENYL-1-PROPANOL
refractive index  1.53
Flash point: 109 °C
storage temp.  Sealed in dry,Room Temperature
solubility  0.1g/l insoluble
pka 15.04±0.10(Predicted)
form  clear liquid
color  Colorless to Almost colorless
Odor at 100.00 %. sweet spicy cinnamyl mignonette hyacinth balsam
Odor Type balsamic
biological source synthetic
Water Solubility  10.3 g/L (20 ºC)
JECFA Number 636
BRN  1857542
Henry's Law Constant 1.8×102 mol/(m3Pa) at 25℃, Altschuh et al. (1999)
Major Application flavors and fragrances
Cosmetics Ingredients Functions FRAGRANCE
PERFUMING
SOLVENT
InChI 1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKey VAJVDSVGBWFCLW-UHFFFAOYSA-N
SMILES OCCCc1ccccc1
LogP 1.6-2.06 at 35℃
CAS DataBase Reference 122-97-4(CAS DataBase Reference)
NIST Chemistry Reference 3-Phenylpropanol(122-97-4)
EPA Substance Registry System Benzenepropanol (122-97-4)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H303-H315-H319-H335
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a
PPE Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes  Xi
Risk Statements  36/37/38-36/38-R36/38
Safety Statements  26-37/39-S37/39-S26
WGK Germany  1
RTECS  UB8970000
TSCA  TSCA listed
HS Code  2906299090
Storage Class 8A - Combustible corrosive hazardous materials
Hazard Classifications Eye Dam. 1
Skin Corr. 1B
Hazardous Substances Data 122-97-4(Hazardous Substances Data)
Toxicity rabbit,LD50,skin,5gm/kg (5000mg/kg),Food and Cosmetics Toxicology. Vol. 17, Pg. 893, 1979.
REACH Registrations Active
NFPA 704:
1
0 0

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