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

2-propyl phenol
o-propylphenol

Supplier Sponsors

Name:2-propylphenol
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
FLAVIS Number:04.046 (Old)
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
 
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
 
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).
 
Cosmetic Information:
None found
 
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)
 
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
 
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
 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
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
 
References:
 2-propylphenol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:644-35-9
Pubchem (cid):12570
Pubchem (sid):134976599
 
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 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
 
Potential Blenders and core components note
For Odor
anisic
ortho-
acetanisole
FL/FR
balsamic
sumatra
benzoin absolute
FL/FR
burnt
amber oil
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
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
ajowan seed oil
FL/FR
2,10-
epoxypinane
FR
matricaria chamomilla flower oil
FL/FR
white
thyme oil
FL/FR
thyme oil (thymus zygis gracillis) spain
FL/FR
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
2-tert-
butyl-6-methyl phenol
FR
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
para-
cresol
FL/FR
ortho-
cresol
FR
meta-
cresol
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
methyl benzoate
FL/FR
4-
methyl-2,6-dimethoxyphenol
FL/FR
piper betle leaf oil
FR
4-
propyl phenol
FL/FR
4-
vinyl phenol
FL/FR
2,3-
xylenol
FL/FR
2,5-
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
4-
ethyl guaiacol
FL/FR
4-
methyl guaiacol
FL/FR
pepper tree berry oil
FL/FR
zingerone
FL/FR
vanilla
ortho-
dimethyl hydroquinone
FL/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
4-
propyl phenol
FL/FR
para-
salicylic acid
FL
seaweed absolute (fucus vesiculosus et serratus)
FL/FR
aromatic
aromatic
anisole
FL/FR
para-
cresyl acetate
FL/FR
burnt
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
ajowan seed oil
FL/FR
matricaria chamomilla flower oil
FL/FR
white
thyme oil
FL/FR
thyme oil (thymus zygis gracillis) spain
FL/FR
red
thyme oil india
FL/FR
red
thyme oil spain
FL/FR
yerba mate absolute
FL/FR
leathery
castoreum absolute
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
nutty cyclohexenone
FL/FR
onion
2-
methyl-1,3-dithiolane
FL
phenolic
para-
cresol
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
spicy
sumatra
benzoin absolute
FL/FR
para-alpha-
dimethyl styrene
FL/FR
pepper tree berry oil
FL/FR
winter
savory oil
FL
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:
FRcoffee
FLfish
FLmeat
 medical
FLsmoke
 
Occurrence (nature, food, other):note
 coffee
Search PMC Picture
 
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
 
 
Notes:
Flavouring ingredient
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