2-propyl phenol
o-propylphenol
 
Notes:
Flavouring ingredient
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      644-35-9 2-Propylphenol
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
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      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      Product(s):
      16-83000 2-PROPYLPHENOL
       
  • Sigma-Aldrich
  • Synerzine
    • Synerzine, Inc.
      Innovation. Customization. Aroma Ingredients.
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      Product(s):
      W1737 o-Propylphenol
       
  • TCI AMERICA
    • TCI AMERICA
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      Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 70 years of synthesis experience and multi-purpose plants enable TCI to offer more than 30,000 products as well as custom synthesis.
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      Product(s):
      P0530 2-Propylphenol >98.0%(GC)
       
Synonyms   Articles   Notes   Search
CAS Number: 644-35-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 211-415-3
FDA UNII: 333R6F6T3N
Nikkaji Web: J44.157K
Beilstein Number: 1363932
MDL: MFCD00002251
CoE Number: 11908
XlogP3: 2.90 (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: 695  o-propylphenol
DG SANTE Food Flavourings: 04.046  2-propylphenol
FEMA Number: 3522 o-propylphenol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):644-35-9 ; O-PROPYLPHENOL
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Physical Properties:
Appearance: colorless to yellow clear liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.99400 to 0.99700 @  20.00 °C.
Pounds per Gallon - (est).: 8.281 to  8.306
Refractive Index: 1.52500 to 1.52900 @  20.00 °C.
Melting Point: 6.00 to  7.00 °C. @ 760.00 mm Hg
Boiling Point: 224.00 to  226.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.078000 mmHg @ 25.00 °C. (est)
Flash Point: 200.00 °F. TCC ( 93.33 °C. )
logP (o/w): 2.930
Soluble in:
 alcohol
 water, 1039 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: phenolic
 
Odor Strength: medium ,
recommend smelling in a 0.10 % solution or less
 
 medicinal  phenolic  smoky  
Odor Description:
at 0.10 % in propylene glycol. 
medicinal phenolic smoky
 
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.
2-Propylphenol
Matrix Scientific
For experimental / research use only.
2-Propylphenol, 97%
Parchem
2-propyl phenol
Penta International
2-PROPYLPHENOL
Santa Cruz Biotechnology
For experimental / research use only.
2-Propylphenol
Sigma-Aldrich
2-Propylphenol, ≥97%, FG
Certified Food Grade Products
Synerzine
o-Propylphenol
TCI AMERICA
For experimental / research use only.
2-Propylphenol >98.0%(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
(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
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Safety in Use Information:
Category: flavor and fragrance agents
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: --
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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): 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
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References:
 2-propylphenol
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 644-35-9
Pubchem (cid): 12570
Pubchem (sid): 134976599
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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
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
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
anisic
anisic
ortho-acetanisoleFL/FR
balsamic
sumatra benzoin absoluteFL/FR
burnt
 amber oilFR
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
fruity
 ethyl 3-hydroxyhexanoateFL/FR
meta-tolualdehydeFL/FR
para-tolualdehydeFL/FR
green
3,7-dimethyl-6-octenoic acidFL/FR
 diphenyl oxideFL/FR
 seaweed absolute (fucus vesiculosus et serratus)FL/FR
herbal
 ajowan seed oilFL/FR
2,10-epoxypinaneFR
 matricaria chamomilla flower oilFL/FR
white thyme oilFL/FR
 thyme oil (thymus zygis gracillis) spainFL/FR
red thyme oil indiaFL/FR
red thyme oil spainFL/FR
 thymolFL/FR
 yerba mate absoluteFL/FR
honey
 phenyl pyruvic acidFL/FR
leathery
2-tert-butyl-6-methyl phenolFR
 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
para-cresolFL/FR
meta-cresolFR
ortho-cresolFR
ortho-cresyl isobutyrateFL/FR
2,3-dimethyl benzofuranFL/FR
para-alpha-dimethyl styreneFL/FR
ortho-guaiacolFL/FR
2'-hydroxyacetophenoneFL/FR
 methyl benzoateFL/FR
4-methyl-2,6-dimethoxyphenolFL/FR
 piper betle leaf oilFR
4-propyl 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
spicy
4-ethyl guaiacolFL/FR
4-methyl guaiacolFL/FR
 pepper tree berry oilFL/FR
 zingeroneFL/FR
vanilla
ortho-dimethyl hydroquinoneFL/FR
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
4-propyl phenolFL/FR
para-salicylic acidFL
 seaweed absolute (fucus vesiculosus et serratus)FL/FR
aromatic
 anisoleFL/FR
para-cresyl acetateFL/FR
burnt
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
 ajowan seed oilFL/FR
 matricaria chamomilla flower oilFL/FR
white thyme oilFL/FR
 thyme oil (thymus zygis gracillis) spainFL/FR
red thyme oil indiaFL/FR
red thyme oil spainFL/FR
 yerba mate absoluteFL/FR
leathery
 castoreum absoluteFL/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
 nutty cyclohexenoneFL/FR
onion
2-methyl-1,3-dithiolaneFL
phenolic
para-cresolFL/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
spicy
sumatra benzoin absoluteFL/FR
para-alpha-dimethyl styreneFL/FR
4-methyl guaiacolFL/FR
 pepper tree berry oilFL/FR
winter savory oilFL
para-tolualdehydeFL/FR
 zingeroneFL/FR
vegetable
 tyramineFL
woody
4-ethyl guaiacolFL/FR
ortho-guaiacolFL/FR
 guaiacyl acetateFL/FR
 
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Potential Uses:
 coffeeFR
 fishFL
 meatFL
 medical 
 smokeFL
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Occurrence (nature, food, other): note
 coffee
Search  PMC Picture
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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
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