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
(EINECS) number :202-707-1
cas number :98-85-1
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
formula :C8 H10 O
BioActivity Analysis :48414025
 
 
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
formula :C8 H10 O
 
 
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
formula :C8 H10 O
 
 
export tariff code :unspecified
fda reg :unspecified
 
Suppliers :
Sigma-Aldrich-SAFC :a-Methylbenzyl alcohol
≥99%, FCC, Kosher
organoleptics :
odor type :chemical
odor strength :medium
odor description :
at 100.00 %.  		fresh sweet acetophenone gardenia hyacinth
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
logp : 1.49
safety :
most important hazard(s) : Xn - Harmful.
Oral Toxicity(LD50) : Gavage-Rat   [sex: M]  400.00  mg/kg    (Smyth & Carpenter, 1944)
Dermal Toxicity(LD50) : Skin-Guineapig  2500.00  mg/kg    
Maximised Survey-derived Daily Intakes (MSDI-EU) :27.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :72.00 (μg/capita/day)
flash point ( Deg. F. ) : 185.00  °F.  TCC  ( 85.00 °C. )
recommendation for styralyl alcohol usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for styralyl alcohol 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
 
 
 1-phenylethanol
(EINECS) number :202-707-1
RTECS :DO9275000 for 98-85-1
chemidplus :000098851
EPA Substance Registry Services :98-85-1
NLM Chemical Carcinogenesis Research Information System :98-85-1
NLM Developmental and Reproductive Toxicity :98-85-1
NLM Env. Mutagen Info. Center :98-85-1
NLM GENetic TOXicology :98-85-1
dtp/nci :25502
 
 
 (1R)-1-phenylethanol
chemidplus :001517697
EPA Substance Registry Services :1517-69-7
NLM Chemical Carcinogenesis Research Information System :1517-69-7
NLM Developmental and Reproductive Toxicity :1517-69-7
NLM Env. Mutagen Info. Center :1517-69-7
NLM GENetic TOXicology :1517-69-7
 
 
 (1S)-1-phenylethanol
chemidplus :001445916
EPA Substance Registry Services :1445-91-6
NLM Chemical Carcinogenesis Research Information System :1445-91-6
NLM Developmental and Reproductive Toxicity :1445-91-6
NLM Env. Mutagen Info. Center :1445-91-6
NLM GENetic TOXicology :1445-91-6
references :
 1-phenylethanol
jecfa number :799
fl. number :02.064
pubchem :150474
NIST Chemistry WebBook :3375412531
 (1R)-1-phenylethanol
pubchem :669823
NIST Chemistry WebBook :1642429589
 (1S)-1-phenylethanol
pubchem :699674
NIST Chemistry WebBook :4111051882
other :
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
 styrallyl alcohol
 styralyl 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
(odor and/or flavor) blends with :
 acetaldehyde dimethyl acetal
 acetophenone
 acorn acetate
ortho-anisaldehyde
para-anisaldehyde
para-anisaldehyde / methyl anthranilate schiff's base
para-anisaldehyde dimethyl acetal
 anisonitrile
para-anisyl acetaldehyde
para-anisyl alcohol
 anisyl propanal / methyl anthranilate schiff's base
 benzyl hexanoate
 earthy indane
para-ethyl acetophenone
 gardenia absolute
 gardenia acetal
 gardenia concrete
 gardenia decalone
 gardenia oxide
 gardenia pentyl acetate
 green dioxolane
 green methanoindene
 hawthorn acetate
 hawthorn carbinol
 heliotropyl acetate
4'-hydroxyacetophenone
para-jasmone
 methyl acetophenone
1-methyl naphthalene
4-methyl-4-phenyl pentanone
 phenethyl butyl ether
 phenyl glycol diacetate
(R)-2-phenyl propyl alcohol
 propiophenone
 propyl 4-hydroxybenzoate
isopropyl anthranilate
 styralyl acetate
 styralyl formate
 styralyl propionate
4-(para-tolyl)-2-butanone
(odor and/or flavor) used in :
 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 :
mushroom
tea



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