4-propyl phenol
p-propylphenol
 
Notes:
Flavouring ingredient
  • BOC Sciences
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      645-56-7 4-n-Propylphenol
       
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      Product(s):
      16-83050 P-PROPYL PHENOL
       
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  • Synerzine
    • Synerzine, Inc.
      Innovation. Customization. Aroma Ingredients.
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      W1738 4-n-Propylphenol
       
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      Product(s):
      P0698 4-Propylphenol >99.0%(GC)
       
Synonyms   Articles   Notes   Search
Fragrance Demo Formulas    Flavor Demo Formulas
CAS Number: 645-56-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 211-446-2
FDA UNII: H27VG833JY
Nikkaji Web: J13.769C
Beilstein Number: 1363429
MDL: MFCD00002395
XlogP3: 3.20 (est)
Molecular Weight: 136.19384000
Formula: C9 H12 O
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 696  p-propylphenol
DG SANTE Food Flavourings: 04.050  4-propylphenol
FEMA Number: 3649 p-propylphenol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):645-56-7 ; P-PROPYLPHENOL
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.98000 to 0.98600 @  25.00 °C.
Pounds per Gallon - (est).: 8.155 to  8.205
Refractive Index: 1.52300 to 1.52700 @  20.00 °C.
Melting Point: 21.00 to  22.00 °C. @ 760.00 mm Hg
Boiling Point: 232.00 to  233.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.038000 mmHg @ 25.00 °C. (est)
Flash Point: 223.00 °F. TCC ( 106.11 °C. )
logP (o/w): 3.200
Soluble in:
 alcohol
 water, 610.7 mg/L @ 25 °C (est)
 water, 1280 mg/L @ 25 °C (exp)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: phenolic
 
 medicinal  phenolic  
Odor Description:
at 0.10 % in propylene glycol. 
medicinal phenolic
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
4-n-Propylphenol
Parchem
4-propyl phenol
Penta International
P-PROPYL PHENOL
Sigma-Aldrich
4-Propylphenol, ≥97%, FG
Odor: medicinal
Certified Food Grade Products
Synerzine
4-n-Propylphenol
TCI AMERICA
For experimental / research use only.
4-Propylphenol >99.0%(GC)
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Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 23 - Do not breath vapour.
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 28 - After contact with skin, wash immediately with plenty of water.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50  500 mg/kg
Eesti NSV Teaduste Akadeemia Toimetised, Biologia. Proceedings of the Academy of Sciences of the Estonian SSR. Vol. 24, Pg. 281, 1975.

oral-guinea pig LD50  675 mg/kg
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(7), Pg. 94, 1974.

oral-mouse LD50  348 mg/kg
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(7), Pg. 94, 1974.

intraperitoneal-mouse LD50  81 mg/kg
Journal of Medicinal Chemistry. Vol. 18, Pg. 868, 1975.

oral-mouse LD50  700 mg/kg
(Pellmont, 1973a)

oral-mammal (species unspecified) LD50  540 mg/kg
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(10), Pg. 16, 1980.

Dermal Toxicity:
skin-mammal (species unspecified) LD50 2150 mg/kg
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(10), Pg. 16, 1980.

Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.049 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.10 (μg/capita/day)
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 Flavor Ingredient Library
publication number: 12
Click here to view publication 12
 average usual ppmaverage maximum ppm
baked goods: -0.10000
beverages(nonalcoholic): -0.03000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -3.00000
condiments / relishes: --
confectionery froastings: -0.06000
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: -0.05000
gelatins / puddings: -0.01200
granulated sugar: --
gravies: --
hard candy: -0.15000
imitation dairy: --
instant coffee / tea: --
jams / jellies: -0.06000
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: -0.07000
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
European Food Safety Athority(EFSA): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 22 (FGE.22): Ring-substituted phenolic substances from chemical groups 21 and 25 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf
Flavouring Group Evaluation 58 (FGE.58) Consideration of phenol derivatives evaluated by JECFA (55th meeting) structurally related to ring substituted phenolic substances evaluated by EFSA in FGE.22 (2006) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 22, Revision 1 (FGE.22Rev1): Ring-substituted phenolic substances from chemical groups 21 and 25
View page or View pdf
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 645-56-7
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 12580
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 3145
WGK Germany: 3
 4-propylphenol
Chemidplus: 0000645567
RTECS: SM8610000 for cas# 645-56-7
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References:
 4-propylphenol
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 645-56-7
Pubchem (cid): 12580
Pubchem (sid): 134976786
Pherobase: View
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS): View
CHEBI: View
CHEMBL: View
KEGG (GenomeNet): C14311
HMDB (The Human Metabolome Database): HMDB32625
FooDB: FDB010569
Export Tariff Code: 2907.19.2000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
No odor group found for these
 butyl parabenCS
anisic
ortho-acetanisoleFL/FR
 estragoleFL/FR
balsamic
sumatra benzoin absoluteFL/FR
 guaiacyl phenyl acetateFL/FR
camphoreous
dextro-camphorFL/FR
chocolate
 vanillyl ethyl etherFL/FR
coffee
 furfuryl mercaptanFL/FR
coumarinic
 phthalideFL/FR
creamy
para-vanillyl alcoholFL/FR
floral
 benzyl alcoholFL/FR
para-cresyl acetateFL/FR
 dimethyl anthranilateFL/FR
ortho-methyl acetophenoneFL/FR
fruity
 ethyl 3-hydroxyhexanoateFL/FR
para-tolualdehydeFL/FR
meta-tolualdehydeFL/FR
green
3,7-dimethyl-6-octenoic acidFL/FR
 diphenyl oxideFL/FR
 seaweed absolute (fucus vesiculosus et serratus)FL/FR
herbal
red thyme oil indiaFL/FR
red thyme oil spainFL/FR
 thymolFL/FR
 yerba mate absoluteFL/FR
honey
 phenyl pyruvic acidFL/FR
leathery
 castoreum absoluteFL/FR
medicinal
2,6-xylenolFL/FR
minty
 piperitenoneFL/FR
mossy
 oakmoss concreteFR
 sea resorcylateFR
 veramoss (IFF)FR
nutty
 nutty cyclohexenoneFL/FR
phenolic
 anisoleFL/FR
meta-cresolFR
para-cresolFL/FR
ortho-cresolFR
meta-cresyl acetateFL/FR
ortho-cresyl isobutyrateFL/FR
2,3-dimethyl benzofuranFL/FR
para-alpha-dimethyl styreneFL/FR
ortho-guaiacolFL/FR
2'-hydroxyacetophenoneFL/FR
butylated hydroxytolueneCS
 methyl benzoateFL/FR
4-methyl-2,6-dimethoxyphenolFL/FR
 piper betle leaf oilFR
2-propyl phenolFL/FR
2-isopropyl phenolFL/FR
4-vinyl phenolFL/FR
2,3-xylenolFL/FR
2,5-xylenolFL/FR
 birch tar oilFL/FR
 cade oilFR
2,6-dimethoxyphenolFL/FR
alpha-ethoxy-ortho-cresolFL/FR
4-ethyl phenolFL/FR
 phoebe oil brazil 
 propyl parabenCS
 pyroligneous acidsFL/FR
 pyroligneous acids hickoryFL/FR
 clove bud absoluteFL/FR
 cubeb oilFL/FR
4-ethyl guaiacolFL/FR
4-methyl guaiacolFL/FR
 pepper tree berry oilFL/FR
 zingeroneFL/FR
tobacco
 methyl benzoxoleFL/FR
vanilla
ortho-dimethyl hydroquinoneFL/FR
 ethyl vanillin hexylene glycol acetalFR
woody
 guaiacyl acetateFL/FR
beta-thujaplicinFR
 
For Flavor
 
No flavor group found for these
 benzyl disulfideFL
 birch tar oilFL/FR
 chavicolFL
ortho-cresyl isobutyrateFL/FR
2,4-dihydroxybenzoic acidFL
2,6-dimethoxy-4-vinyl phenolFL
ortho-dimethyl hydroquinoneFL/FR
alpha-ethoxy-ortho-cresolFL/FR
3-methyl crotonic acidFL
1-methyl pyrroleFL
4-methyl salicylaldehydeFL
 phoebe oil brazil 
 piperitenoneFL/FR
 prenyl mercaptanFL
2-propyl phenolFL/FR
para-salicylic acidFL
 seaweed absolute (fucus vesiculosus et serratus)FL/FR
anisic
ortho-methyl acetophenoneFL/FR
aromatic
 anisoleFL/FR
para-cresyl acetateFL/FR
burnt
 bacon dithiazineFL
2,6-xylenolFL/FR
chemical
2,3-dimethyl benzofuranFL/FR
coffee
 furfuryl mercaptanFL/FR
coumarinic
 phthalideFL/FR
creamy
para-vanillyl alcoholFL/FR
fishy
3-penten-2-oneFL
floral
3,7-dimethyl-6-octenoic acidFL/FR
fruity
 benzyl alcoholFL/FR
 dimethyl anthranilateFL/FR
 ethyl 3-hydroxyhexanoateFL/FR
meta-tolualdehydeFL/FR
green
 diphenyl oxideFL/FR
herbal
red thyme oil indiaFL/FR
red thyme oil spainFL/FR
 yerba mate absoluteFL/FR
leathery
 castoreum absoluteFL/FR
licorice
 estragoleFL/FR
meaty
4-allyl-2,6-dimethoxyphenolFL
2,6-dimethyl thiophenolFL
ortho-thioguaiacolFL
medicinal
dextro-camphorFL/FR
2,6-dimethoxyphenolFL/FR
musty
2-ethoxythiazoleFL
2,5-xylenolFL/FR
naphthyl
2'-hydroxyacetophenoneFL/FR
nutty
 methyl benzoxoleFL/FR
 nutty cyclohexenoneFL/FR
onion
2-methyl-1,3-dithiolaneFL
phenolic
para-cresolFL/FR
meta-cresyl acetateFL/FR
 guaiacyl phenyl acetateFL/FR
 methyl benzoateFL/FR
4-methyl-2,6-dimethoxyphenolFL/FR
 phenyl pyruvic acidFL/FR
 thymolFL/FR
4-vinyl phenolFL/FR
2,3-xylenolFL/FR
powdery
ortho-acetanisoleFL/FR
rummy
 vanillyl ethyl etherFL/FR
smoky
4-ethyl phenolFL/FR
 pyroligneous acidsFL/FR
 pyroligneous acids hickoryFL/FR
dextro-xyloseFL
solvent
2-isopropyl phenolFL/FR
spicy
sumatra benzoin absoluteFL/FR
 chipotle chili oleoresinFL
 clove bud absoluteFL/FR
 cubeb oilFL/FR
para-alpha-dimethyl styreneFL/FR
4-methyl guaiacolFL/FR
 pepper tree berry oilFL/FR
para-tolualdehydeFL/FR
 zingeroneFL/FR
vegetable
 tyramineFL
woody
4-ethyl guaiacolFL/FR
ortho-guaiacolFL/FR
 guaiacyl acetateFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 castoreum
Search  PMC Picture
 malt
Search  PMC Picture
 rum
Search  PMC Picture
 whiskey malt whiskey
Search  Picture
 wine
Search  Picture
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Synonyms:
 dihydrochavicol
1-hydroxy-4-N-propyl benzene
1-hydroxy-4-n-propylbenzene
3-(4-hydroxyphenyl)-1-propane
1-(4-hydroxyphenyl)propane
p-hydroxypropyl benzene
para-hydroxypropyl benzene
p-hydroxypropylbenzene
para-hydroxypropylbenzene
 hydroxypropylbenzene, p-
 phenol, 4-propyl-
 phenol, p-propyl-
 phenol, p-propyl-,
p-propyl phenol
para-propyl phenol
4-propyl-phenol
4-propylbenzolol
4-propylphenol
4-N-propylphenol
p-propylphenol
para-propylphenol
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