EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

4-propyl phenol
p-propylphenol

Supplier Sponsors

Flavor Demo Formulas
Name:4-propylphenol
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
FLAVIS Number:04.050 (Old)
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: P-PROPYLPHENOL
 
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 mm/Hg @ 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
 
Organoleptic Properties:
Odor Type: phenolic
Odor Strength:medium ,
recommend smelling in a 0.10 % solution or less
medicinal phenolic
Odor Description:at 0.10 % in propylene glycol. medicinal phenolic
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
4-n-Propylphenol
Parchem
4-propyl phenol
Penta International
p-PROPYL PHENOL, Kosher
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)
 
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
 
Safety in Use Information:
Category: flavor and fragrance agents
 
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
 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: --
 
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
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center: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
 
References:
 4-propylphenol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:645-56-7
Pubchem (cid):12580
Pubchem (sid):134976786
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (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
 
Potential Blenders and core components note
For Odor
No odor group found for these
butyl paraben
CS
anisic
anisic
ortho-
acetanisole
FL/FR
estragole
FL/FR
balsamic
sumatra
benzoin absolute
FL/FR
guaiacyl phenyl acetate
FL/FR
camphoreous
dextro-
camphor
FL/FR
chocolate
vanillyl ethyl ether
FL/FR
coffee
furfuryl mercaptan
FL/FR
coumarinic
phthalide
FL/FR
creamy
para-
vanillyl alcohol
FL/FR
floral
benzyl alcohol
FL/FR
para-
cresyl acetate
FL/FR
dimethyl anthranilate
FL/FR
ortho-
methyl acetophenone
FL/FR
fruity
ethyl 3-hydroxyhexanoate
FL/FR
para-
tolualdehyde
FL/FR
meta-
tolualdehyde
FL/FR
green
3,7-
dimethyl-6-octenoic acid
FL/FR
diphenyl oxide
FL/FR
seaweed absolute (fucus vesiculosus et serratus)
FL/FR
herbal
red
thyme oil india
FL/FR
red
thyme oil spain
FL/FR
thymol
FL/FR
yerba mate absolute
FL/FR
honey
phenyl pyruvic acid
FL/FR
leathery
castoreum absolute
FL/FR
medicinal
2,6-
xylenol
FL/FR
minty
piperitenone
FL/FR
mossy
oakmoss concrete
FR
sea resorcylate
FR
veramoss (IFF)
FR
nutty
nutty cyclohexenone
FL/FR
phenolic
anisole
FL/FR
meta-
cresol
FR
ortho-
cresol
FR
para-
cresol
FL/FR
meta-
cresyl acetate
FL/FR
ortho-
cresyl isobutyrate
FL/FR
2,3-
dimethyl benzofuran
FL/FR
para-alpha-
dimethyl styrene
FL/FR
ortho-
guaiacol
FL/FR
2'-
hydroxyacetophenone
FL/FR
butylated
hydroxytoluene
CS
methyl benzoate
FL/FR
4-
methyl-2,6-dimethoxyphenol
FL/FR
piper betle leaf oil
CS
2-iso
propyl phenol
FL/FR
2-
propyl phenol
FL/FR
4-
vinyl phenol
FL/FR
2,5-
xylenol
FL/FR
2,3-
xylenol
FL/FR
smoky
birch tar oil
FL/FR
cade oil
FR
2,6-
dimethoxyphenol
FL/FR
alpha-
ethoxy-ortho-cresol
FL/FR
4-
ethyl phenol
FL/FR
propyl paraben
CS
pyroligneous acids
FL/FR
pyroligneous acids hickory
FL/FR
spicy
clove bud absolute
FL/FR
cubeb oil
FL/FR
4-
ethyl guaiacol
FL/FR
4-
methyl guaiacol
FL/FR
pepper tree berry oil
FL/FR
zingerone
FL/FR
tobacco
methyl benzoxole
FL/FR
vanilla
ortho-
dimethyl hydroquinone
FL/FR
ethyl vanillin hexylene glycol acetal
FR
woody
guaiacyl acetate
FL/FR
beta-
thujaplicin
FR
For Flavor
No flavor group found for these
benzyl disulfide
FL
birch tar oil
FL/FR
chavicol
FL
ortho-
cresyl isobutyrate
FL/FR
2,4-
dihydroxybenzoic acid
FL
2,6-
dimethoxy-4-vinyl phenol
FL
ortho-
dimethyl hydroquinone
FL/FR
alpha-
ethoxy-ortho-cresol
FL/FR
3-
methyl crotonic acid
FL
1-
methyl pyrrole
FL
4-
methyl salicylaldehyde
FL
piperitenone
FL/FR
prenyl mercaptan
FL
2-
propyl phenol
FL/FR
para-
salicylic acid
FL
seaweed absolute (fucus vesiculosus et serratus)
FL/FR
anisic
anisic
ortho-
methyl acetophenone
FL/FR
aromatic
anisole
FL/FR
para-
cresyl acetate
FL/FR
burnt
bacon dithiazine
FL
2,6-
xylenol
FL/FR
chemical
2,3-
dimethyl benzofuran
FL/FR
coffee
furfuryl mercaptan
FL/FR
coumarinic
phthalide
FL/FR
creamy
para-
vanillyl alcohol
FL/FR
fishy
3-
penten-2-one
FL
floral
3,7-
dimethyl-6-octenoic acid
FL/FR
fruity
benzyl alcohol
FL/FR
dimethyl anthranilate
FL/FR
ethyl 3-hydroxyhexanoate
FL/FR
meta-
tolualdehyde
FL/FR
green
diphenyl oxide
FL/FR
herbal
red
thyme oil india
FL/FR
red
thyme oil spain
FL/FR
yerba mate absolute
FL/FR
leathery
castoreum absolute
FL/FR
licorice
estragole
FL/FR
meaty
4-
allyl-2,6-dimethoxyphenol
FL
2,6-
dimethyl thiophenol
FL
ortho-
thioguaiacol
FL
medicinal
dextro-
camphor
FL/FR
2,6-
dimethoxyphenol
FL/FR
musty
2-
ethoxythiazole
FL
2,5-
xylenol
FL/FR
naphthyl
2'-
hydroxyacetophenone
FL/FR
nutty
methyl benzoxole
FL/FR
nutty cyclohexenone
FL/FR
onion
2-
methyl-1,3-dithiolane
FL
phenolic
para-
cresol
FL/FR
meta-
cresyl acetate
FL/FR
guaiacyl phenyl acetate
FL/FR
methyl benzoate
FL/FR
4-
methyl-2,6-dimethoxyphenol
FL/FR
phenyl pyruvic acid
FL/FR
thymol
FL/FR
4-
vinyl phenol
FL/FR
2,3-
xylenol
FL/FR
powdery
ortho-
acetanisole
FL/FR
rummy
vanillyl ethyl ether
FL/FR
smoky
4-
ethyl phenol
FL/FR
pyroligneous acids
FL/FR
pyroligneous acids hickory
FL/FR
dextro-
xylose
FL
solvent
2-iso
propyl phenol
FL/FR
spicy
sumatra
benzoin absolute
FL/FR
chipotle chili oleoresin
FL
clove bud absolute
FL/FR
cubeb oil
FL/FR
para-alpha-
dimethyl styrene
FL/FR
pepper tree berry oil
FL/FR
para-
tolualdehyde
FL/FR
zingerone
FL/FR
vanilla
4-
methyl guaiacol
FL/FR
vegetable
tyramine
FL
woody
4-
ethyl guaiacol
FL/FR
ortho-
guaiacol
FL/FR
guaiacyl acetate
FL/FR
 
Potential Uses:
None Found
 
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
 
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
 
 
Notes:
Flavouring ingredient
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