4-vinyl phenol
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IUPAC name :4-ethenylphenol
InChI :InChI=1/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2
InChIKey :FUGYGGDSWSUORM-UHFFFAOYAQ
SMILES :C=CC1=CC=C(C=C1)O
cas number :2628-17-3
(EINECS) number :220-103-6
beilstein number :0506844
fema number :3739
coe number :11257
jecfa number :711
fl. number :04.057
molar refractivity :39.05 ± 0.3 cm3
parachor :287.2 ± 4.0 cm3
index of refraction :1.602 ± 0.02
surface tension :40.5 ± 3.0 dyne/cm
density :1.055 ± 0.06 g/cm3
polarizability :15.48 ± 0.5 10-24cm3
XlogP : 2.60
molecular weight : 120.1485200
formula :C8 H8 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Penta :4-vinyl phenol
10% in propylene glycol
Sigma-Aldrich-SAFC :4-Vinylphenol solution
10 wt. % in propylene glycol, FG, Kosher
Treatt :4-Vinylphenol
10% in PG

organoleptics :
odor type :phenolic
odor strength :high ,
recommend smelling in a 0.01 % solution or less
odor description :
at 0.01 % in propylene glycol.  
chemical phenolic medical sweet

properties :
appearence :white to pale yellow solid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.03900 @ 25.00 °C.
refractive index :1.54500 @ 20.00 °C.
melting point : 59.00 to 68.00 °C. @ 760.00 mm Hg
boiling point : 189.00 °C. @ 760.00 mm Hg
boiling point : 163.00 to 168.00 °C. @ 0.50 mm Hg
flash point : 140.00  °F.  TCC  ( 60.00 °C. )
logP (o/w) : 2.16

safety :
most important hazard(s) :Xn - Harmful.
  R 23/24/25 - Toxic by inhalation, in contact with skin and if swallowed.
R 34 - Causes burns.
R 42/43 - May cause sensitization by inhalation and skin contact.
S 02 - Keep out of the reach of children.
S 23 - Do not breath vapour.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 53 - Avoid exposure - obtain special instructions before use.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Skin-Rabbit  200.00  mg/kg

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :6.00 (μg/capita/day)
 
recommendation for 4-vinyl phenol usage levels up to :
 not for fragrance use.
recommendation for 4-vinyl phenol usage levels up to :
  60.0000 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
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 4-ethenylphenol
(EINECS) number :220-103-6
RTECS :SN3800000 for 2628-17-3
chemidplus :002628173
EPA Substance Registry Services :2628-17-3

references :
 4-ethenylphenol
fl. number :04.057
jecfa number :711
NIST Chemistry WebBook :554015998
pubchem :203875

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
4-ethenyl phenol
4-ethenylphenol
4-hydroxystyrene
para-hydroxystyrene
para-vinyl phenol

soluble in :
 alcohol
 water

(odor and/or flavor) blends with :
6-acetoxydihydrotheaspirane
2-acetyl furan
2-acetyl pyrazine
 basil oleoresin sweet
 benzoin
 benzoin absolute sumatra
 benzothiazole
 benzyl alcohol
 benzyl mercaptan
(E)-alpha-bergamotene
 betel leaf oil
isobornyl formate
 butyl mercaptan
dextro-camphor
 caramel furanone
 cardamom seed oil
 champaca absolute
 champaca flower oil
 chavicol
 clary sage absolute
 clary sage oil
 cocoa pyrazine
 coffee difuran
 coffee dione
 coffee pyrazine
(-)-cubenol
 cyperus root oil
 dicyclohexyl disulfide
 difurfuryl ether
 difurfuryl sulfide
3,4-dihydroxybenzaldehyde
2,4-dihydroxybenzoic acid
 diisoamyl thiomalate
2,6-dimethoxy-4-vinyl phenol
1,2-dimethoxybenzene
 dimethyl anthranilate
2,3-dimethyl benzofuran
 dimethyl benzyl carbinyl propionate
2,3-dimethyl pyrazine
2,5-dimethyl pyrazine
2,6-dimethyl pyrazine
para-alpha-dimethyl styrene
2,4-dimethyl thiazole
2,6-dimethyl thiophenol
4,5-dimethyl-2-ethyl-3-thiazoline
2,5-dimethyl-3-thiofuroyl furan
 diphenyl oxide
2-ethoxythiazole
 ethyl 3-(furfuryl thio) propionate
4-ethyl guaiacol
 ethyl methyl sulfide
para-ethyl phenol
S-ethyl thioacetate
2-ethyl-3,5(6)-dimethyl pyrazine mixture
 filbert heptenone
 furfuryl alcohol
 furfuryl isopropyl sulfide
 furfuryl mercaptan
 furfuryl methyl ether
 furfuryl propionate
1-furfuryl pyrrole
 furfuryl thioacetate
S-furfuryl thioformate
 furfuryl thiopropionate
 geranyl formate
 guaiacol
 guaiacyl acetate
 guaiacyl phenyl acetate
(-)-guaiol
 guaiyl acetate
 heptyl butyrate
1-hydroxy-2-butanone
2'-hydroxyacetophenone
4-hydroxybenzoic acid
 longifolene
 menthofuran
2'-methoxyacetophenone
2-methyl 3-(methyl thio) furan 10% in triacetin
2-methyl 5-(methyl thio) furan
 methyl benzoate
2-methyl butyraldehyde
3-methyl crotonic acid
 methyl cyclopentenolone
 methyl furfuryl disulfide
4-methyl guaiacol
alpha-isomethyl ionone (90% min.)
1-methyl naphthalene
2-methyl quinoxaline
5-methyl quinoxaline
4-methyl salicylaldehyde
2-methyl thio-3,5 or 6-methyl pyrazine
4-methyl-2,6-dimethoxyphenol
2-methyl-3-,5 or 6-(furfuryl thio) pyrazine
2-methyl-5-isopropyl pyrazine
 myrtenol
 nutty cyclohexenone
 oakmoss concrete
3-penten-2-one
 phenethyl isobutyrate
 phenyl pyruvic acid
ketoisophorone
 phthalide
 piperitenone
2-propyl phenol
4-propyl phenol
isopulegol
 pyroligneous acids
 sea resorcylate
 seaweed absolute
 tea acetate
 tetrahydrolinalool
2,3,5,6-tetramethyl pyrazine
2-thienyl mercaptan
 thioguaiacol
2-thiophene thiol
beta-thujaplicin
meta-tolyl aldehyde
para-tolyl aldehyde
2,4,5-trimethyl thiazole
 vanillyl alcohol
 vanillyl ethyl ether
 verbena absolute france
 verymoss
4-vinyl phenol
2,3-xylenol
2,5-xylenol
2,6-xylenol
 zingerone

(odor and/or flavor) used in :
 coffee
 fruit
 grain
 meat
 seafood
 tea
 vegetable
 wine

natural occurrence in :
data pagechampaca concrete @ trace%
coffee
tea black tea
wine



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