hawthorn ethanol
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IUPAC name :2-(3-methylphenyl)ethanol
InChI :InChI=1/C9H12O/c1-8-3-2-4-9(7-8)5-6-10/h2-4,7,10H,5-6H2,1H3
InChIKey :KWHVBVJDKLSOTB-UHFFFAOYAI
SMILES :CC1=CC(=CC=C1)CCO
cas number :1875-89-4
(EINECS) number :217-508-5
molar refractivity :42.16 ± 0.3 cm3
parachor :338.2 ± 4.0 cm3
index of refraction :1.532 ± 0.02
surface tension :38.2 ± 3.0 dyne/cm
density :1.001 ± 0.06 g/cm3
polarizability :16.71 ± 0.5 10-24cm3
XlogP : 1.80
XlogP3-AA : 1.90
molecular weight : 136.1909800 (IUPAC)
formula :C9 H12 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Sigma-Aldrich-Aldrich :3-Methylphenethyl alcohol
98%
TCI AMERICA :2-(3-Methylphenyl)ethanol
>98.0%(GC)

organoleptics :
odor type :floral
odor description:
floral rose jasmin muguet lilac woody
odor sample from :International Flavors & Fragrances Inc.

properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.99700 to 1.00500 @ 25.00 °C.
pounds per gallon - calc. : 8.296 to 8.363
specific gravity :0.99800 to 1.00600 @ 20.00 °C.
pounds per gallon - calc. : 8.314 to 8.381
refractive index :1.52700 to 1.53200 @ 20.00 °C.
boiling point : 240.00 to 241.00 °C. @ 760.00 mm Hg
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 1.82

safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for hawthorn ethanol fragrance usage levels up to :
  50.0000 % in the fragrance concentrate.
recommendation for hawthorn ethanol flavor usage levels up to :
 not for flavor use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
2-(3-methylphenyl)ethanol
(EINECS) number :217-508-5
chemidplus :001875894
EPA Substance Registry Services :1875-89-4

references :
 
2-(3-methylphenyl)ethanol
NIST Chemistry WebBook :3261427902
pubchem :216879

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
synonyms :
2-meta-cresyl ethanol
 hawthanol
 hawthorn ethanol
3-methyl benzene ethanol
ortho-meta-para-methyl benzene ethanol
meta-methyl phenethyl alcohol
ortho,meta,para-methyl phenyl ethanol
2-(3-methyl phenyl) ethanol
2-(3-methylphenyl)ethanol
2-meta-tolyl ethanol

soluble in :
 alcohol

insoluble in :
 water

potential blenders :
 acetophenoneFL/FR
 acorn acetateFR
alpha-amyl cinnamyl acetateFL/FR
alpha-amyl cinnamyl alcoholFL/FR
isoamyl undecylenateFL/FR
ortho-anisaldehydeFL/FR
para-anisaldehydeFL/FR
para-anisaldehyde / methyl anthranilate schiff's baseFL/FR
para-anisaldehyde dimethyl acetalFR
 anisonitrileFR
para-anisyl acetaldehydeFL/FR
para-anisyl alcoholFL/FR
 anisyl propanal / methyl anthranilate schiff's baseFR
 benzyl acetoneFL/FR
 benzyl alcoholFL/FR
 benzyl phenyl acetateFL/FR
 benzyl propionateFL/FR
 bergamot oil bergaptene freeFL/FR
 butyl benzyl etherFL/FR
4-tert-butyl cyclohexane carboxaldehydeFR
isobutyl furyl propionateFL/FR
 citronellyl propionateFL/FR
para-cresyl propionaldehydeCS
 cyclamen homoaldehydeFR
(E)-alpha-damasconeFL/FR
(Z)-alpha-damasconeFL/FR
gamma-damasconeFL/FR
isodecanalFL/FR
(Z)-4-decen-1-yl acetateFL/FR
 dihydrocarvyl acetateFL/FR
2',4'-dimethyl acetophenoneFL/FR
2,4-dimethyl cyclohexyl methyl acetateFR
 earthy indaneFR
para-ethyl acetophenoneFL/FR
(E,E)-farnesolFL/FR
 farnesyl acetateFL/FR
 floral pyranFR
 floral pyranolFR
 freesia heptanolFL/FR
 geranyl acetateFL/FR
(E)-geranyl linaloolFL/FR
 globulolFL/FR
 hawthorn acetateFR
 hawthorn carbinolFL/FR
 heliotropyl acetateFL/FR
(Z)-3-hexen-1-yl anthranilateFL/FR
(E)-beta-iononeFL/FR
alpha-iononeFL/FR
beta-iononeFL/FR
alpha-ironeFL/FR
 jasimiaFR
 jasmin absoluteFL/FR
 jasmin acetateFL/FR
 jasmin pyranolFR
para-jasmoneFR
 leafy acetalFL/FR
 leerallFR
(±)-lilac aldehydeFL/FR
 lilac pentanolFL/FR
 lilyallFR
 linaloe wood oil mexicoFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
(Z)-linalool oxide (furanoid)FL/FR
 methyl acetophenoneFL/FR
2'-methyl acetophenoneFL/FR
 methyl dihydrojasmonateFL/FR
(E)-beta-methyl iononeFL/FR
iso-alpha-methyl iononeFL/FR
(E)-alpha-methyl ionone (50-60%)FL/FR
 methyl ionone gamma supremeFL/FR
2-methyl octanalFL/FR
 muguet butanalFR
 muguet butanolFR
 muguet ethanolFR
 muguet nitrileFR
 musk acetateFR
 myrcenyl acetateFL/FR
 neryl acetateFL/FR
 neryl isovalerateFL/FR
 nonanal diethyl acetalFL/FR
 nonanolFL/FR
 orris absoluteFL/FR
 penten-1-yl cyclopentanoneFL/FR
 petitgrain cedrat oilFL/FR
 phenethyl acetateFL/FR
 phenethyl anthranilateFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl salicylateFL/FR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde digeranyl acetalFR
2-phenyl propionaldehydeFL/FR
2-phenyl propyl acetateFL/FR
(R)-2-phenyl propyl alcoholFL/FR
2-phenyl propyl alcoholFL/FR
1-phenyl propyl butyrateFL/FR
 propiophenoneFL/FR
 propyl 4-hydroxybenzoateFL/FR
isopropyl anthranilateFL/FR
laevo-rose oxideFL/FR
 sandal octanolFR
 strawberry glycidate 2FL/FR
 styralyl butyrateFL/FR
 styralyl formateFL/FR
 styralyl propionateFL/FR
alpha-terpineolFL/FR
 tetrahydrolinaloolFL/FR
 tetrahydromyrcenolFR
 tropical iononeFL/FR
(E)-2-undecen-1-olFL/FR
2-undecen-1-olFL/FR
 vetiver pentanoneFR

potential uses :
 jasmin
 lilac lilas syringa
 muguet lily of the valley
 rose
 wistaria wisteria glycine
 woody

natural occurrence in :
 not found in nature  



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