phenoxyethanol
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IUPAC name :2-phenoxyethanol
InChI :InChI=1/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey :QCDWFXQBSFUVSP-UH
SMILES :C1=CC=C(C=C1)OCCO
cas number :122-99-6
(EINECS) number :204-589-7
eu annex :603-098-00-9
beilstein number :1364011
fema number :4620
molar refractivity :39.09 ± 0.3 cm3
parachor :320.4 ± 4.0 cm3
index of refraction :1.525 ± 0.02
surface tension :39.9 ± 3.0 dyne/cm
density :1.084 ± 0.06 g/cm3
polarizability :15.50 ± 0.5 10-24cm3
XlogP : 1.20
XlogP3 : 1.20
molecular weight : 138.1638000 (IUPAC)
formula :C8 H10 O2
BioActivity Analysis :68596
NMR Predictor :Predict
 
 
export tariff code :2909.49.0000
fda reg :unspecified

Suppliers :
Berje :Phenoxy Ethanol
(Rose Ether)
John D. Walsh :Phenoxy Ethanol
Moellhausen :phenoxyethyl alcohol
99% min. nature identical kosher
Penta :phenoxyethanol
Sigma-Aldrich-Fluka :2-Phenoxyethanol
≥99.0%
Symrise :Phenoxyethyl alcohol
Odor:  weak, mild, rosy, balsamic, cinnamon-like
Vigon :Phenoxy Ethanol Extra
98%
Odor:  MILD ROSY, METALLIC
Vigon :Phenoxy Ethanol Rose Ether

organoleptics :
odor type :floral
odor strength :medium
odor description :¹
at 100.00 %.  
mild rose balsam cinnamyl
odor sample from :Emery Chemicals
substantivity :84  Hour(s)

properties :
appearence :colorless oily liquid to solid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.10500 to 1.10800 @ 25.00 °C.
pounds per gallon - calc. : 9.195 to 9.220
refractive index :1.53700 to 1.54000 @ 20.00 °C.
melting point : 12.00 to 14.00 °C. @ 760.00 mm Hg
boiling point : 237.00 to 238.00 °C. @ 760.00 mm Hg
boiling point : 153.00 to 154.00 °C. @ 50.00 mm Hg
vapor pressure :0.00700 mm/Hg @ 25.00 °C.
flash point : 250.00  °F.  TCC  ( 121.11 °C. )
logP (o/w) : 1.16

safety :
most important hazard(s) :Xn - Harmful.
  R 22 - Harmful if swallowed.
R 36 - Irritating to eyes.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37 - Wear suitable gloves.
Oral Toxicity(LD50) :
  Oral-Rat    1260.00  mg/kg
Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 259, 1941.

Intraperitoneal-Mouse    490.00  mg/kg
Toksikologicheskii Vestnik. Vol. (3), Pg. 37, 1996.

Oral-Mouse    933.00  mg/kg
Toksikologicheskii Vestnik. Vol. (3), Pg. 37, 1996.

Intraperitoneal-Rat    554.00  mg/kg
Toksikologicheskii Vestnik. Vol. (3), Pg. 37, 1996.

Dermal Toxicity(LD50) :
  Skin-Rabbit  5.00  ml/kg
Union Carbide Data Sheet. Vol. 6/24/1958

Skin-Rat  14422.00  mg/kg
Journal of the American College of Toxicology. Vol. 9, Pg. 259, 1990.

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for phenoxyethanol usage levels up to :
  5.0000 % in the fragrance concentrate.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
publication number : 24
 average usual ppmaverage maximum ppm
baked goods : 4.000008.00000
beverages(nonalcoholic) : 0.500002.00000
beverages(alcoholic) : 1.000003.00000
breakfast cereal : --
cheese : --
chewing gum : --
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : 2.000005.00000
fruit ices : 1.000002.00000
gelatins / puddings : 1.000003.00000
granulated sugar : --
gravies : --
hard candy : 1.000005.00000
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : --
milk products : --
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : --
soft candy : 1.000005.00000
soups : --
sugar substitutes : --
sweet sauces : --

safety references :
EPI System :view
NIOSH International Chemical Safety Cards :search
NLM Hazardous Substances Data Bank :search
AIDS Citations :Search
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
National Toxicology Program :Search
EPA Chem. Sub. Inventory : Yes
SCCNFP :opinion
 
WGK Germany :1
 
 
 
 2-phenoxyethanol
(EINECS) number :204-589-7
RTECS :122-99-6
chemidplus :000122996
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :122-99-6
dtp/nci :1864

references :
 2-phenoxyethanol
NIST Chemistry WebBook :3848789196
pubchem :173272

Cosmetics :
Cosmetic uses : preservatives

other :
reference : Luebke, William tgsc, (1987)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
Household Products : Search
synonyms :
 1160 rose ether
 arosol
 emeressence 1160 rose ether
 ethylene glycol monophenyl ether
 ethylene glycol phenyl ether
 glycol monophenyl ether
1-hydroxy-2-phenoxyethane
2-hydroxyethyl phenyl ether
beta-hydroxyethyl phenyl ether
2-(phenoxy)ethanol
2-phenoxyethanol
beta-phenoxyethanol
 phenoxyethyl alcohol
 phenoxytol
 phenyl cellosolve
 phenyl monoglycol ether
 rose ether
 rose ether 1160

soluble in :
 alcohol
 paraffin oil, slightly soluble
 water, 26700 mg/L @ 20C

insoluble in :
 water

(odor and/or flavor) blends with :
 acetaldehyde ethyl phenethyl acetal
 allyl amyl glycolate
 allyl cyclohexyl propionate
isoamyl benzoate
alpha-amyl cinnamaldehyde
isoamyl phenyl acetate
isoamyl salicylate
 amyris wood oil
para-anisaldehyde
para-anisyl acetate
para-anisyl alcohol
 atractylis absolute
 benzoin resinoid
 benzophenone
 benzyl acetate
 benzyl alcohol
 benzyl cinnamate
 benzyl isobutyrate
 benzyl isoeugenol
 benzyl propionate
 benzyl salicylate
 bergamot oil
 blood orange oil
 bois de rose oil
isobutyl cinnamate
isobutyl quinoline
isobutyl salicylate
 carnation absolute
 cinnamyl alcohol
 citral
 citronellal
 citronellol
 citronellyl acetate
 clary sage oil
 clove bud oil
 clover nitrile
 coriander seed oil
 coumarin
para-cresyl acetate
para-cresyl caprylate
para-cresyl phenyl acetate
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
 decanal
9-decen-1-al
9-decen-1-ol
 dihydrojasmone
 dimethyl anthranilate
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl butyrate
 dimethyl hydroquinone
 diphenyl oxide
 ethyl cinnamate
 ethyl laurate
 ethyl maltol
 ethyl phenyl acetate
 ethyl vanillin
 eugenol
isoeugenyl acetate
 fir balsam absolute
 floral pyranol
 gardenia oxide
 geraniol
 geranium oil
 geranyl acetate
(E)-geranyl acetone
 green acetate
 hay absolute
 heliotropin
 heliotropyl acetone
(Z)-3-hexen-1-ol
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl formate
(Z)-3-hexen-1-yl salicylate
alpha-hexyl cinnamaldehyde
 hexyl tiglate
 ho leaf oil
 hyacinth ether
 hydroxycitronellal
 immortelle absolute
 indole
 ionones
 jasmin absolute
 karo-karounde absolute
 labdanum resinoid
 lavender absolute
 leaf acetal
 leerall
 lemon oil
 lilyall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 maltol
 melon nonenoate
 methyl acetophenone
para-methyl anisole
 methyl anthranilate
 methyl cedryl ketone
 methyl cinnamate
 methyl dihydrojasmonate
 methyl heptine carbonate
 methyl ionones
 methyl isoeugenol
 methyl octine carbonate
 methyl phenyl acetate
 mimosa absolute
 muguet carboxaldehyde
 muguet octadienol
 musks
beta-naphthyl ethyl ether
beta-naphthyl methyl ether
 narcissus absolute
 nerol
 nerolidol
 neryl acetate
 nonanal
 nonanol
 oakmoss absolute
 ocean propanal
 orange oil
 orangeflower absolute
 orris absolute
 orris pyridine
 patchouli ethanone
 patchouli oil
 peony alcohol
 pepper oil black
 phenethyl acetate
 phenethyl isobutyrate
 phenethyl isovalerate
 phenethyl phenyl acetate
 phenethyl propionate
 phenethyl salicylate
 phenyl acetaldehyde
 phenyl acetaldehyde dimethyl acetal
 phenyl acetic acid
3-phenyl propionaldehyde
3-phenyl propyl alcohol
 raspberry ketone
 raspberry ketone acetate
 raspberry ketone methyl ether
 rhodinol
 rose absolute
 rose butanoate
 rose oxides
 sandalwood oil
 santall
 strawberry glycidate 1
 styralyl acetate
alpha-terpineol
alpha-terpinyl acetate
 tetrahydrolinalool
 tetrahydromyrcenol
 tobacco dodecane
 tonka bean absolute
gamma-undecalactone
10-undecen-1-al
 vanilla absolute
 vanillyl acetate
 verymoss
 vetiver oil
 violet leaf absolute
 violet methyl carbonate
 watermelon ketone
 woody acetate
 woody amylene
 ylang ylang oil

(odor and/or flavor) used in :
 acacia
 aldehydic
 almond
 amber
 ambrene
 angel
 antibacterial agents
 apple blossom
 apricot
 balsam
 bellodgia
 blue grass
 blue mist
 bluebell
 blueberry
 botanical
 bouquet
 broom genet genista
 carnation dianthus oeillet
 cassie acacia farnesiana
 champaca champak
 cherry
 cherry blossom
 chestnut blossom
 civet
 coconut tropical coconut
 crabapple blossom
 currant
 elderberry
 fern fougere
 fetes
 fixer
 floral
 frangipanni plumeria
 gardenia
 geranium
 ginger white ginger
 gooseberry
 hawthorn
 heather
 heliotrope
 herbal
 hibiscus
 honeysuckle chevrefeuille
 hops houblon
 hyacinth jacinthe
 jasmin
 jonquil narcissus jonquilla
 kiwi blossom
 leather
 lemon
 lilac lilas syringa
 lily
 linden blossom limeflower tilleul
 lotus
 magnolia
 meadow
 muguet lily of the valley
 mulberry
 narcissus narcisse
 neroli
 orange blossom fleur d'oranger
 orchid
 oriental
 orris iris
 peach
 peony
 potpourri
 powder
 preservatives
 quelques fleurs
 rain
 raspberry
 rose
 rose leaf
 rose red rose
 rose tea rose
 rose white rose
 sandalwood
 spice
 strawberry
 sweet pea pois de senteur
 tea black tea
 tea green tea
 tuberose tubereuse
 violet
 wallflower giroflee
 woody
 ylang ylang cananga

natural occurrence in :
data pageulva rigida oil greece @ 1.60%



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