3-phenyl propyl alcohol
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Notes :
Fortifier for many balsams and spice oils. waxy rose - phenyl propyl alcohol. ethyl phenyl acetate note: 0.05 - phenethyl phenyl acetate 0.01 - phenyl propyl alcohol
 
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IUPAC name :3-phenylpropan-1-ol
InChI :InChI=1/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKey :VAJVDSVGBWFCLW-UHFFFAOYAH
SMILES :C1=CC=C(C=C1)CCCO
cas number :122-97-4
(EINECS) number :204-587-6
beilstein number :1857542
fema number :2885
coe number :80
jecfa number :636
fl. number :02.031
molar refractivity :41.96 ± 0.3 cm3
parachor :340.3 ± 4.0 cm3
index of refraction :1.528 ± 0.02
surface tension :38.9 ± 3.0 dyne/cm
density :0.999 ± 0.06 g/cm3
polarizability :16.63 ± 0.5 10-24cm3
XlogP : 1.70
molecular weight : 136.1909800 (IUPAC)
formula :C9 H12 O
BioActivity Analysis :80417
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :2906.29.0000
fda reg :172.515
Suppliers :
Aceto :3-Phenylpropanol
FCC
Berje :Phenyl Propyl Alcohol
Cargill :3-PHENYL-1-PROPANOL
natural, Kosher
Odor:  Sweet, Balsamic, Floral, Hyacinth
Inoue :3-PHENYL PROPANOL
John D. Walsh :Phenyl Propyl Alcohol
Moellhausen :phenylpropyl alcohol
99% min. nature identical kosher
Odor:  sweet, aromatic, floral (hyacinth note)
Flavor:  fruity, balsamic (honey), cinnamon
Penta :phenyl propyl alcohol
SAFC Global® :3-Phenyl-1-propanol
≥98%, FCC
Odor:  balsam; hyacinth; floral; sweet
Symrise :Phenyl propyl alcohol
Odor:  floral-hyacinth, remote reminiscent of rose, balsamic, slightly sultry, more balsamic than cinnamic alcohol
Flavor:  sweet, fruity, balsamic
Ungerer :Phenyl Propyl Alcohol
Vigon :Phenyl Propyl Alcohol
FCC
Odor:  Floral-hyacinth, remote reminiscent of rose, balsamic, slightly sultry, more balsamic than cinnamic alcohol
organoleptics :
odor type :balsamic
odor strength :medium
odor description:
at 100.00 %.  		sweet spicy cinnamyl mignonette hyacinth balsam
Luebke, William tgsc, (1984)
odor sample from :Berje Inc.
odor description:
Spicy, cinnamon, fruity, floral and honey-like with balsamic nuances
Mosciano, Gerard P&F 20, No. 6, 49, (1995)
taste description:
at 20.00 ppm.  		Spicy, cinnamon, balsamic, fruity, winey and honey-like with floral nuances
Mosciano, Gerard P&F 20, No. 6, 49, (1995)
substantivity :152  Hour(s)
properties :
appearence :colorless clear oily liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.99800 to 1.00000 @ 25.00 °C.
pounds per gallon - calc. : 8.304 to 8.321
refractive index :1.52400 to 1.52800 @ 20.00 °C.
melting point : -18.00 to -17.00 °C. @ 760.00 mm Hg
boiling point : 235.00 to 236.00 °C. @ 760.00 mm Hg
boiling point : 145.00 to 146.00 °C. @ 50.00 mm Hg
vapor pressure :0.23000 mm/Hg @ 20.00 °C.
flash point : 229.00  °F.  TCC  ( 109.44 °C. )
logP (o/w) : 1.88
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Human experience : 8 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    2300.00  mg/kg
(Moreno, 1976p)

Oral-Rat   [sex: M,F]  2250.00  mg/kg
(Wong & Weir, 1971a)

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 893, 1979.

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :51.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :31.00 (μg/capita/day)
Structure Class :I
 
recommendation for 3-phenyl propyl alcohol fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for 3-phenyl propyl alcohol flavor usage levels up to :
  20.0000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
msds :msds
EPI System :view
Chemical Carcinogenesis Research Information System :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :1
 
 
 
 
3-phenylpropan-1-ol
(EINECS) number :204-587-6
RTECS :UB8970000 for cas# 122-97-4
chemidplus :000122974
EPA Substance Registry Services :122-97-4
dtp/nci :16942
references :
 
3-phenylpropan-1-ol
fl. number :02.031
jecfa number :636
NIST Chemistry WebBook :2373386549
pubchem :173270
Flavornet :122-97-4
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
 C of A
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 benzene propanol
3-benzene propanol
 benzyl ethyl alcohol
 dihydrocinnamic alcohol
 dihydrocinnamyl alcohol
 hydrocinnamic alcohol
 hydrocinnamyl alcohol
1-hydroxy-3-phenyl propane
(3-hydroxypropyl) benzene
 phenethyl carbinol
3-phenyl propan-1-ol
3-phenyl propanol
gamma-phenyl propanol
 phenyl propyl alcohol
3-phenyl propyl alcohol
gamma-phenyl propyl alcohol
3-phenyl-1-propanol
3-phenyl-N-propanol
3-phenylpropan-1-ol
soluble in :
 alcohol
 benzyl benzoate
 dipropylene glycol
 fixed oils
 propylene glycol
 water, 5680 mg/L @ 25C
insoluble in :
 paraffin oil
 glycerin
 water
stability :
 cream
 hair spray
 lotion
 non-discoloring in most media
 powder
 shampoo
potential blenders :    note
 acetaldehyde ethyl phenethyl acetalFL/FR
 allspice oilFL/FR
 amber carbinolFR
 ambroxanFL/FR
isoamyl benzoateFL/FR
 amyl isoeugenolFR
isoamyl phenyl acetateFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFL/FR
 angelica root oilFL/FR
 animal carbolactoneFR
para-anisaldehydeFL/FR
 anise seed oilFL/FR
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
 beeswax absoluteFL/FR
 benzaldehyde propylene glycol acetalFL/FR
 benzoin resinoidFL/FR
 benzyl acetateFL/FR
 benzyl cinnamateFL/FR
 benzyl isoeugenolFL/FR
 benzyl salicylateFL/FR
 bergamot oilFL/FR
 bois de rose oilFL/FR
isobornyl acetateFL/FR
laevo-bornyl acetateFL/FR
isobutyl cinnamateFL/FR
isobutyl quinolineFR
isobutyl quinolineFR
isobutyl salicylateFL/FR
 caraway seed oilFL/FR
 cardamom absoluteFL/FR
 cassia bark oilFL/FR
 cinnamyl acetateFL/FR
 cinnamyl alcoholFL/FR
 cinnamyl butyrateFL/FR
 citronellolFL/FR
 clary sage absoluteFL/FR
 clary sage oilFL/FR
 clove bud oilFL/FR
 clover nitrileFR
 coriander seed oilFL/FR
 costus valerolactoneFR
para-cresolFL/FR
para-cresyl acetateFL/FR
para-cresyl isobutyrateFL/FR
para-cresyl phenyl acetateFL/FR
para-cresyl phenyl ether 
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
 davana oilFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl benzyl carbinyl isobutyrateFR
 dodecanalFL/FR
 elder flowers absoluteFR
 ethyl cinnamateFL/FR
 ethyl maltolFL/FR
 ethyl phenyl acetateFL/FR
 ethyl vanillinFL/FR
isoeugenyl acetateFL/FR
isoeugenyl ethyl acetalFR
 fir balsam absoluteFR
 floral pyranolFR
 frankincense oilFL/FR
 geraniolFL/FR
 gurjun balsam oilFR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
 heliotropyl diethyl acetalFR
gamma-heptalactoneFL/FR
gamma-hexalactoneFL/FR
(Z)-3-hexen-1-yl cinnamateFR
(Z)-3-hexen-1-yl salicylateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 indoleFL/FR
 ionones 
(Z)-jasmoneFL/FR
 leerallFR
 lilac pentanolFL/FR
 lily absoluteFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 linalyl cinnamateFL/FR
 magnolia indeneFR
 methyl acetophenoneFL/FR
4-methyl biphenylFL
alpha-methyl cinnamaldehydeFL/FR
 methyl cinnamateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl furfuracrylateFL
 methyl ionones 
 methyl isoeugenolFL/FR
2-methyl undecanalFL/FR
 mimosa absoluteFL/FR
 muguet carboxaldehydeFR
 musks 
 myrrh oilFL/FR
 narcissus acetateFL/FR
 nerolFL/FR
 nerolidolFL/FR
 nopyl acetateFR
 oakmoss absoluteFL/FR
 ocean propanalFL/FR
 octyl cinnamateFR
 orange oilFL/FR
 orris pyridineFR
 patchouli ethanoneFR
 peony alcoholFR
 peru balsam oilFL/FR
 peru balsam resinoidFL/FR
 phenethyl alcoholFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl salicylateFL/FR
2-phenoxyethyl formateFR
 phenyl acetaldehyde dimethyl acetalFL/FR
2-phenyl propyl alcoholFL/FR
 poplar bud oleoresinFL/FR
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
 reseda acetalFR
 rhodinolFL/FR
 rose butanoateFL/FR
 rose oilFL/FR
 santallFR
 spearmint oilFL/FR
 tea acetateFR
alpha-terpineolFL/FR
 tetrahydrofurfuryl cinnamateFL/FR
 tobacco dodecaneFR
 tonka bean absoluteFR
 tuberose absoluteFL/FR
 tuberose absolute concreteFL/FR
gamma-undecalactoneFL/FR
10-undecen-1-alFL/FR
 vanilla absoluteFL/FR
 vanillyl acetateFL/FR
 verymossFR
 wallflower absoluteFR
 watermelon ketoneFR
 woody amyleneFR
 ylang ylang absoluteFL/FR
 ylang ylang oilFL/FR
potential uses :
 allspice
 apricot
 arpege
 balsam
 benzoin
 blue grass
 candy
 carnation dianthus oeillet
 cassia
 cassie acacia farnesiana
 cinnamon
 citrus
 cloudberry bakeapple
 cranberry
 cream ice cream
 cyclamen
 herbal
 honey miel
 huckleberry bilberry
 hyacinth jacinthe
 jasmin
 je reviens
 jonquil narcissus jonquilla
 joy
 leather
 lilac lilas syringa
 lily of the valley
 linden blossom limeflower tilleul
 muguet lily of the valley
 narcissus narcisse
 nut hazelnut
 nut pistachio
 nut walnut
 orchid
 oriental
 passion fruit
 peach
 peru balsam
 plum
 reseda mignonette
 rose
 spice
 strawberry
 styrax
 tea
natural occurrence in :    note
 benzoin sumatra  
data pagechampaca concrete @ 0.02% S
data pagecistus oil @ 0.1% S
data pagenarcissus absolute @ 1.52% S
 peru balsam S
 strawberry S
 styrax  


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