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4-propyl phenol

Chemical Structure

General Material Information

Preferred name 4-propyl phenol
Trivial Name 4-Propylphenol
Short Description p-propylphenol
Formula C9 H12 O
CAS Number 645-56-7
FEMA Number 3649
Flavis Number 4.05
ECHA Number 211-446-2
FDA UNII H27VG833JY
Nikkaji Number J13.769C
Beilstein Number 1363429
MDL MFCD00002395
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 696 p-propylphenol
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 645-56-7 ; P-PROPYLPHENOL
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
  • 4-Propylphenol
  • p-Propylphenol
  • 4-n-Propylphenol
  • p-Hydroxypropylbenzene
  • p-n-Propylphenol
  • p-Hydroxy-n-propylbenzene
  • NSC 65647
  • Hydrochavicol

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 136.19383239746
Specific gravity @ 25 °C
Pounds per Gallon 8.155 to 8.205
Refractive Index 1.523 to 1.527 @ 20 °C
Melting Point 21 to 22°C @ 760 mm Hg
Boiling Point 232 to 233°C @ 760 mm Hg
Vapor Pressure 0.038 mmHg @ 25 °C
Flash Point TCC Value 106.11 °C TCC
logP (o/w) 3.2
Solubility
alcohol Yes
water, 610.7 mg/L @ 25 °C (est) Yes
water, 1280 mg/L @ 25 °C (exp) Yes
water No

Organoleptic Properties

Odor Type: Phenolic
medicinal, phenolic
General comment At 0.10 % in propylene glycol. medicinal phenolic

Occurrences

Safety Information

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
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: --

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