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

3-propylidene phthalide
celeriax (IFF)

Sponsors

Flavor Demo Formulas
Name:3-propylidene-2-benzofuran-1-one
CAS Number: 17369-59-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:241-402-8
FDA UNII:WHD8YJ226P
MDL:MFCD00051813
CoE Number:494
XlogP3-AA:2.60 (est)
Molecular Weight:174.19910000
Formula:C11 H10 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Name:(3E)-3-propylidene-2-benzofuran-1-one
CAS Number: 56014-72-3Picture of molecule3D/inchi
FDA UNII:0VB6659N9S
XlogP3-AA:2.60 (est)
Molecular Weight:174.19910000
Formula:C11 H10 O2
NMR Predictor:Predict (works with chrome or firefox)
Name:(3Z)-3-propylidene-2-benzofuran-1-one
CAS Number: 94704-89-9Picture of molecule3D/inchi
FDA UNII:LU204L9C7Y
Nikkaji Web:J36.997G
XlogP3-AA:2.60 (est)
Molecular Weight:174.19910000
Formula:C11 H10 O2
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
JECFA Food Flavoring:1168 3-propylidenephthalide
FLAVIS Number:10.005 (Old)
DG SANTE Food Flavourings:10.005 3-propylidenephthalide
FEMA Number:2952 3-propylidenephthalide
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 3-PROPYLIDENEPHTHALIDE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.12800 to 1.13800 @ 25.00 °C.
Pounds per Gallon - (est).: 9.386 to 9.469
Specific Gravity:1.12500 to 1.13300 @ 20.00 °C.
Pounds per Gallon - est.: 9.372 to 9.439
Refractive Index:1.57900 to 1.58900 @ 20.00 °C.
Melting Point: 5.00 °C. @ 760.00 mm Hg
Boiling Point: 169.00 to 170.00 °C. @ 12.00 mm Hg
Boiling Point: 273.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.001000 mm/Hg @ 25.00 °C. (est)
Vapor Density:6.0 ( Air = 1 )
Flash Point: 235.00 °F. TCC ( 112.78 °C. )
logP (o/w): 2.878 (est)
Soluble in:
 alcohol
 water, very slightly
 water, 1087 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: herbal
Odor Strength:high ,
recommend smelling in a 1.00 % solution or less
Substantivity:284 hour(s) at 100.00 %
celery maple fenugreek
Odor Description:at 1.00 % in dipropylene glycol. celery maple fenugreek
celery sweet lovage maple herbal brown vegetable
Odor Description:Celery, sweet, lovage and maple-Iike with herbal, brown, vegetative nuances
Mosciano, Gerard P&F 21, No. 1, 33, (1996)
Flavor Type: green
green celery sweet lovage vegetable herbal
Taste Description: at 25.00 ppm. Green, celery, sweet and lovage with vegetative and herbal nuances
Mosciano, Gerard P&F 21, No. 1, 33, (1996)
Odor and/or flavor descriptions from others (if found).
Frutarom
3-PROPYLIDENEPHTHALIDE
Odor Description:Celery, Herbaceous, Spicy, Warm
Suggested Uses: Bakery, Dairy Products, Herbal Flavours, Savoury
Sigma-Aldrich
3-Propylidenephthalide, mixture of cis and trans isomers, ≥96%, FG
Odor Description:woody; floral; sweet; herbaceous; spicy
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
3-Propylidenephthalide 95%
Citrus and Allied Essences
3-Propylidene Phthalide
Odor: powerful, very warm, spicy-herbaceous
Market Report
Ernesto Ventós
APIONAX
Odor: CELERY, HERBACEOUS, SPICY, WARM
Frutarom
3-PROPYLIDENEPHTHALIDE
Odor: Celery, Herbaceous, Spicy, Warm
Use: Suggested Uses: Bakery, Dairy Products, Herbal Flavours, Savoury
Jiangyin Healthway
3-Propylidenephthalide
New functional food ingredients
Lluch Essence
CELERIAX
Penta International
PROPYLIDENE PHTHALIDE, Kosher
Reincke & Fichtner
3-Propylidenephthalide
Sigma-Aldrich
3-Propylidenephthalide, mixture of cis and trans isomers, ≥96%, FG
Odor: woody; floral; sweet; herbaceous; spicy
Certified Food Grade Products
Synerzine
3-Propylidenephthalide
Taytonn
3-Propylidenephthalide
Odor: Spicy, Herbal/ Herbaceous, Celery, Warm
TCI AMERICA
For experimental / research use only.
3-Propylidenephthalide >96.0%(GC)
Treatt
3-Propylidene Phthalide
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
R 37/38 - Irritating to 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 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 37/39 - Wear suitable gloves and eye/face protection.
 
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.
Human Experience:
0.5 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 1650 mg/kg
(Moreno, 1975r)

oral-rat LD50 1650 mg/kg
Food and Cosmetics Toxicology. Vol. 16, Pg. 865, 1978.

Dermal Toxicity:
skin-rabbit LD50 > 2500 mg/kg
Food and Cosmetics Toxicology. Vol. 16, Pg. 865, 1978.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
IFRA Critical Effect: Sensitization
IFRA: View Standard
Fragrance usage is IFRA RESTRICTED. View Standard for complete information.
Please review all IFRA documents for complete information.
IFRA categories: limits in the finished product: (For a description of the categories, refer to the IFRA QRA Information Booklet.)
Category 1:
See Note (1)
0.01 % (1)
Category 2:  0.01 %
Category 3:  0.01 %
Category 4:  0.01 %
Category 5:  0.01 %
Category 6:  0.70 % (1)
Category 7:  0.01 %
Category 8:  0.01 %
Category 9:  0.01 %
Category 10:  0.01 %
Category 11: See Note (2)
 Notes:
 

For this material, for pragmatic reasons, restrictive levels allowed by the QRA for certain categories but actually being higher than those already in place before applying the QRA, will temporarily not be implemented until the end of a 5 year monitoring phase. At the end of the 5 years the position will be reevaluated again.

 

(1) IFRA would recommend that any material used to impart perfume or flavour in products intended for human ingestion should consist of ingredients that are in compliance with appropriate regulations for foods and food flavourings in the countries of planned distribution and, where these are lacking, with the recommendations laid down in the Code of Practice of IOFI (International Organisation of the Flavor Industry). Further information about IOFI can be found on its website (www.iofi.org).

 

(2) Category 11 includes all non-skin contact or incidental skin contact products. Due to the negligible skin contact from these types of products there is no justification for a restriction of the concentration of this fragrance ingredient in the finished product.

 
Maximised Survey-derived Daily Intakes (MSDI-EU): 17.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 52.00 (μg/capita/day)
Structure Class: III
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: 3
 average usual ppmaverage maximum ppm
baked goods: -5.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -5.00000
fruit ices: -5.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -5.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
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):

Flavouring Group Evaluation 27 (FGE.27): One aromatic lactone from chemical group 11[1] - Scientific Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 80 (FGE.80) - Consideration of alicyclic, alicyclic-fused and aromatic-fused ring lactones evaluated by JECFA (61st meeting) structurally related to a aromatic lactone evaluated by EFSA in FGE.27 (2008)
View page or View pdf

Flavouring Group Evaluation 80, Revision 1 (FGE.80Rev1): Consideration of alicyclic, alicyclic-fused and aromatic-fused ring lactones evaluated by JECFA (61st meeting) structurally related to a aromatic lactone evaluated by EFSA in FGE.27 (2008)
View page or View pdf

Scientific Opinion on the safety and efficacy of alicyclic and aromatic lactones (chemical group 11) when used as flavourings for all animal species
View page or View pdf

EPI System: View
Chemical Carcinogenesis Research Information System:Search
Env. Mutagen Info. Center:Search
EPA Substance Registry Services (TSCA):17369-59-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :28500
National Institute of Allergy and Infectious Diseases:Data
SCCNFP:opinion
WGK Germany:3
3-propylidene-2-benzofuran-1-one
Chemidplus:0017369594
EPA/NOAA CAMEO:hazardous materials
RTECS:NP7235000 for cas# 17369-59-4
(3E)-3-propylidene-2-benzofuran-1-one
(3Z)-3-propylidene-2-benzofuran-1-one
Chemidplus:017369594
 
References:
 3-propylidene-2-benzofuran-1-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:17369-59-4
Pubchem (cid):28500
Pubchem (sid):34670942
 (3E)-3-propylidene-2-benzofuran-1-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:56014-72-3
Pubchem (cid):6259976
Pubchem (sid):48422504
 (3Z)-3-propylidene-2-benzofuran-1-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:94704-89-9
Pubchem (cid):5373603
Pubchem (sid):170956
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31845
FooDB:FDB008528
Export Tariff Code:2932.99.7000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
EFSA Update of results on the monitoring of furan levels in food:Read Report
EFSA Previous report: Results on the monitoring of furan levels in food:Read Report
EFSA Report of the CONTAM Panel on provisional findings on furan in food:Read Report
 
Potential Blenders and core components note
For Odor
amber
angelica root oil
FL/FR
camphoreous
verbenone
FL/FR
caramellic
caramel pentadione
FL/FR
fenugreek absolute
FL/FR
fenugreek oleoresin
FL/FR
floral
hexahydrofarnesyl acetone
FL/FR
iso
jasmone
FL/FR
(Z)-
jasmone
FL/FR
2-
pentadecanone
FL/FR
(Z)-
rose oxide
FL/FR
fruity
methyl nonanoate
FL/FR
green
iso
butyl benzyl carbinol
FL/FR
iso
butyl methyl ketone
FL/FR
(Z)-2-
hexen-1-ol
FL/FR
(Z)-4-
hexen-1-ol
FL/FR
herbal
apium graveolens seed oil india
FL/FR
3-
butyl phthalide
FL/FR
3-
butylidene phthalide
FL/FR
celery ketone
FL/FR
celery leaf oil
FL/FR
celery seed oil CO2 extract
FL/FR
celery undecene
FR
levisticum officinale herb oil
FL/FR
levisticum officinale root absolute
FL/FR
levisticum officinale root extract
FL/FR
curled
parsley seed oil
FL/FR
minty
carvyl acetate
FL/FR
roasted
fenugreek resinoid
FL/FR
spicy
iso
butyl angelate
FL/FR
cuminaldehyde
FL/FR
levisticum officinale root oil
FL/FR
tonka
whiskey lactone
FL/FR
waxy
methyl octanoate
FL/FR
woody
amber dodecane
FR
For Flavor
No flavor group found for these
3-
butyl phthalide
FL/FR
verbenone
FL/FR
alliaceous
alliaceous
cyclopentyl mercaptan
FL
amber
iso
butyl benzyl carbinol
FL/FR
brown
fenugreek oleoresin
FL/FR
caramellic
caramel pentadione
FL/FR
fenugreek absolute
FL/FR
fenugreek resinoid
FL/FR
celery
3-
butylidene phthalide
FL/FR
fatty
2-
pentadecanone
FL/FR
green
angelica root oil
FL/FR
iso
butyl angelate
FL/FR
iso
butyl methyl ketone
FL/FR
celery ketone
FL/FR
hexahydrofarnesyl acetone
FL/FR
(Z)-4-
hexen-1-ol
FL/FR
(Z)-2-
hexen-1-ol
FL/FR
iso
jasmone
FL/FR
methyl octanoate
FL/FR
(Z)-
rose oxide
FL/FR
herbal
apium graveolens seed oil india
FL/FR
celery leaf oil
FL/FR
celery seed oil CO2 extract
FL/FR
celery seed oleoresin
FL
curled
parsley seed oil
FL/FR
minty
carvyl acetate
FL/FR
spicy
cuminaldehyde
FL/FR
levisticum officinale herb oil
FL/FR
levisticum officinale oleoresin
FL
levisticum officinale root absolute
FL/FR
levisticum officinale root extract
FL/FR
levisticum officinale root oil
FL/FR
winey
methyl nonanoate
FL/FR
woody
(Z)-
jasmone
FL/FR
whiskey lactone
FL/FR
 
Potential Uses:
FRcelery
FL/FRfenugreek
FRherbal
FL/FRlovage root
FRmaple
FLsugar brown sugar
 
Occurrence (nature, food, other):note
 celery
Search Trop Picture
 lovage root
Search Trop Picture
 
Synonyms:
 apionax
 celeriax (IFF)
4,5-dihydro-3-(1-propylidene)-phthalide
 propylidene phthalide
isopropylidene phthalide
3-propylidene-1-benzo[c]furanone
3-propylidene-1(3H)-isobenzofuranone
3-propylidene-2-benzofuran-1-one
3-propylidene-2-benzofuran-1(3H)-one
3-propylidenephthalide
N-propylidenephthalide
 
 
Notes:
Flavouring ingredient
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