styralyl alcohol
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IUPAC name :1-phenylethanol
InChI :InChI=1/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
InChIKey :WAPNOHKVXSQRPX-UHFFFAOYAF
SMILES :CC(C1=CC=CC=C1)O
cas number :98-85-1
(EINECS) number :202-707-1
beilstein number :1905149
fema number :2685
coe number :2030
jecfa number :799
fl. number :02.064
molar refractivity :37.33 ± 0.3 cm3
parachor :299.2 ± 4.0 cm3
index of refraction :1.531 ± 0.02
surface tension :38.0 ± 3.0 dyne/cm
density :1.013 ± 0.06 g/cm3
polarizability :14.80 ± 0.5 10-24cm3
XlogP : 1.70
molecular weight : 122.1644000 (IUPAC)
formula :C8 H10 O
BioActivity Analysis :48414025
pherobase floral:view
NMR Predictor :Predict
 
 
IUPAC name :(1R)-1-phenylethanol
InChI :InChI=1/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m1/s1
InChIKey :WAPNOHKVXSQRPX-SSDOTTSWBP
SMILES :C[C@H](C1=CC=CC=C1)O
cas number :1517-69-7
molar refractivity :37.33 ± 0.3 cm3
parachor :299.2 ± 4.0 cm3
index of refraction :1.531 ± 0.02
surface tension :38.0 ± 3.0 dyne/cm
density :1.013 ± 0.06 g/cm3
polarizability :14.80 ± 0.5 10-24cm3
XlogP : 1.70
molecular weight : 122.1644000 (IUPAC)
formula :C8 H10 O
NMR Predictor :Predict
 
 
IUPAC name :(1S)-1-phenylethanol
InChI :InChI=1/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1
InChIKey :WAPNOHKVXSQRPX-ZETCQYMHBR
SMILES :C[C@@H](C1=CC=CC=C1)O
cas number :1445-91-6
molar refractivity :37.33 ± 0.3 cm3
parachor :299.2 ± 4.0 cm3
index of refraction :1.531 ± 0.02
surface tension :38.0 ± 3.0 dyne/cm
density :1.013 ± 0.06 g/cm3
polarizability :14.80 ± 0.5 10-24cm3
XlogP : 1.70
molecular weight : 122.1644000 (IUPAC)
formula :C8 H10 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.515
Suppliers :
Berje :Styrallyl Alcohol
Moellhausen :styralyl alcohol
99% min. nature identical kosher
Penta :alpha-methyl benzyl alcohol
SAFC Global® :a-Methylbenzyl alcohol
≥99%, FCC, Kosher
Odor:  hyacinth
Vigon :Styrallyl Alcohol Phenyl Methyl Carbinol
Odor:  MILD, HYACINTH-LIKE
Vigon :Styrallyl Alcohol Phenyl Methyl Carbinol
Purified
Odor:  MILD, HYACINTH-LIKE
organoleptics :
odor type :chemical
odor strength :medium
odor description:
at 100.00 %.  		fresh sweet acetophenone gardenia hyacinth
Luebke, William tgsc, (1981)
odor sample from :Berje Inc.
odor description:
Chemical, naphthyl, medicinal, sweet, with a camphoraceous nuance
Mosciano, Gerard P&F 17, No. 4, 33, (1992)
taste description:
at 50.00 ppm.  		Chemical, medicinal, with a balsamic vanilla woody nuance
Mosciano, Gerard P&F 17, No. 4, 33, (1992)
substantivity :8  Hour(s)
properties :
appearence :colorless to pale yellow clear liquid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :1.00900 to 1.01400 @ 25.00 °C.
pounds per gallon - calc. : 8.396 to 8.437
refractive index :1.52500 to 1.52900 @ 20.00 °C.
melting point : 19.00 to 20.00 °C. @ 760.00 mm Hg
boiling point : 204.00 to 205.00 °C. @ 745.00 mm Hg
congealing point :19.00 °C.
vapor pressure :0.05800 mm/Hg @ 25.00 °C.
vapor density :4.21 ( Air = 1 )
flash point : 185.00  °F.  TCC  ( 85.00 °C. )
logP (o/w) : 1.49
safety :
most important hazard(s) :Xn - Harmful.
  R 22 - Harmful if swallowed.
R 38 - Irritating to skin.
R 41 - Risk of serious damage to eyes.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
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 37/39 - Wear suitable gloves and eye/face protection.
Human experience : 8 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Gavage-Rat   [sex: M]  400.00  mg/kg
(Smyth & Carpenter, 1944)

Oral-Mouse    558.00  mg/kg

Dermal Toxicity(LD50) : 
  Skin-Guineapig  >15.00  ml/kg

Subcutaneous-Mouse  250.00  mg/kg

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :27.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :72.00 (μg/capita/day)
 
recommendation for styralyl alcohol fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for styralyl alcohol flavor usage levels up to :
  50.0000 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...
EPI System :view
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Carcinogenic Potency Database :Search
EPA GENetic TOXicology :Search
Env. Mutagen Info. Center :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 2937
 
WGK Germany :1
 
 
 
 
1-phenylethanol
(EINECS) number :202-707-1
RTECS :DO9275000 for cas# 98-85-1
chemidplus :000098851
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :98-85-1
dtp/nci :25502
 
 
 
(1R)-1-phenylethanol
chemidplus :001517697
EPA Substance Registry Services :1517-69-7
 
 
 
(1S)-1-phenylethanol
chemidplus :001445916
EPA Substance Registry Services :1445-91-6
references :
Leffingwell :chirality
 
1-phenylethanol
fl. number :02.064
jecfa number :799
NIST Chemistry WebBook :3375412531
pubchem :150474
 
(1R)-1-phenylethanol
NIST Chemistry WebBook :1642429589
pubchem :669823
 
(1S)-1-phenylethanol
NIST Chemistry WebBook :4111051882
pubchem :699674
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
(1-hydroxyethyl) benzene
alpha-methyl benzene methanol
alpha-methyl benzyl alcohol
 methyl phenyl carbinol
1-phenethyl alcohol
alpha-phenethyl alcohol
1-phenyl ethan-1-ol
1-phenyl ethanol
1-phenyl ethyl alcohol
alpha-phenyl ethyl alcohol
1-phenyl-1-hydoxyethane
1-phenylethanol
 styrallyl alcohol
soluble in :
 fixed oils
 glycerin
 water, 1950 mg/L @ 25C
insoluble in :
 water
stability :
 bath salts
 cream
 hair spray
 lotion
 non-discoloring in most media
 powder
 shampoo
potential blenders :    note
 acetaldehyde dimethyl acetalFL/FR
 acetophenoneFL/FR
 acorn acetateFR
ortho-anisaldehydeFL/FR
para-anisaldehydeFL/FR
para-anisaldehyde / methyl anthranilate schiff's baseFR
para-anisaldehyde dimethyl acetalFL/FR
 anisonitrileFR
para-anisyl acetaldehydeFL/FR
para-anisyl alcoholFL/FR
 anisyl propanal / methyl anthranilate schiff's baseFR
 benzyl hexanoateFL/FR
 earthy indaneFR
para-ethyl acetophenoneCS
 gardenia absoluteFR
 gardenia acetalFR
 gardenia concreteFR
 gardenia decaloneFR
 gardenia oxideFR
 gardenia pentyl acetateFR
 green dioxolaneFR
 green methanoindeneFR
 hawthorn acetateFR
 hawthorn carbinolFL/FR
 heliotropyl acetateFL/FR
4'-hydroxyacetophenoneFL
para-jasmoneFR
 methyl acetophenoneFL/FR
1-methyl naphthaleneFL
4-methyl-4-phenyl pentanoneFR
 phenethyl butyl etherFR
 phenyl glycol diacetateFR
(R)-2-phenyl propyl alcoholFL/FR
 propiophenoneFL/FR
 propyl 4-hydroxybenzoateFL/FR
isopropyl anthranilateFL/FR
 styralyl acetateFL/FR
 styralyl formateFL/FR
 styralyl propionateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
potential uses :
 apricot
 castoreum
 cherry
 floral
 gardenia
 grape
 hawthorn
 honey miel
 honeysuckle chevrefeuille
 hyacinth jacinthe
 lilac lilas syringa
 lily
 mimosa wattle
 narcissus narcisse
 peach
 vanilla
natural occurrence in :    note
 mushroom  
 tea  

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