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    General Material Information
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2-propyl phenol

Chemical Structure

General Material Information

Preferred name 2-propyl phenol
Trivial Name 2-Propylphenol
Short Description o-propylphenol
Formula C9 H12 O
CAS Number 644-35-9
FEMA Number 3522
Flavis Number 4.046
ECHA Number 211-415-3
FDA UNII 333R6F6T3N
Nikkaji Number J44.157K
Beilstein Number 1363932
MDL MFCD00002251
COE Number 11908
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 695 o-propylphenol
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 644-35-9 ; O-PROPYLPHENOL
Synonyms
  • 1-hydroxy-2-N-propyl benzene
  • 1-hydroxy-2-N-propylbenzene
  • 1-2-hydroxyphenyl propane
  • 1-(2-hydroxyphenyl) propane
  • 1-(2-hydroxyphenyl)propane
  • 1-2-hydroxyphenylpropane
  • phenol, 2-propyl-
  • phenol, o-propyl-
  • 2-N- propyl phenol
  • o- propyl phenol
  • ortho- propyl phenol
  • 2-propylbenzolol
  • 2-propylphenol
  • 2-N- propylphenol
  • o- propylphenol
  • ortho- propylphenol
  • 2-Propylphenol
  • o-Propylphenol
  • 2-n-Propylphenol
  • o-n-Propylphenol
  • NSC 65646

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

Google Scholar Start search
Google Books Start search
Google Patents Start search
Perfumer & Flavorists Start search
EU Patents Start search
PubMeb Start search
NCBI Start search

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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB32624
FooDB:FDB010568
Export Tariff Code:2907.15.6000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 136.19383239746
Specific gravity @ 20 °C
Pounds per Gallon 8.281 to 8.306
Refractive Index 1.525 to 1.529 @ 20 °C
Melting Point 6 to 7°C @ 760 mm Hg
Boiling Point 224 to 226°C @ 760 mm Hg
Vapor Pressure 0.078 mmHg @ 25 °C
Flash Point TCC Value 93.33 °C TCC
logP (o/w) 2.93
Solubility
alcohol Yes
water, 1039 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

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

Occurrences

Potential Uses

Applications
Odor purposes Coffee
Flavoring purposes Fish, Meat, Smoke
Other purposes Medical

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
(Unigovski & Veldre

oral-mouse LD50 356 mg/kg
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(7), Pg. 94, 1974.

oral-guinea pig LD50 450 mg/kg
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(7), Pg. 94, 1974.

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.

Dermal Toxicity:
Not determined
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): 0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 1.00 (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: 10
Click here to view publication 10
average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: -2.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -3.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -3.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: -2.00000
snack foods: --
soft candy: --
soups: -3.00000
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):644-35-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12570
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3145
WGK Germany:3
2-propylphenol
Chemidplus:0000644359
RTECS:SM8600000 for cas# 644-35-9