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isopropyl formate

Chemical Structure

General Material Information

Preferred name isopropyl formate
Trivial Name Isopropyl formate
Short Description formic acid, isopropyl ester
Formula C4 H8 O2
CAS Number 625-55-8
FEMA Number 2944
Flavis Number 9.165
ECHA Number 210-901-2
FDA UNII H1L164W42G
Nikkaji Number J53.981C
Beilstein Number 1735844
MDL MFCD00014127
COE Number 503
xLogP3-AA 0.90 (est)
NMR Predictor External link
JECFA Food Flavoring 304 isopropyl formate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 625-55-8 ; ISOPROPYL FORMATE
Synonyms
  • formic acid 1-methyl ethyl ester
  • formic acid 1-methylethyl ester
  • formic acid isopropyl ester
  • formic acid, 1-methylethyl ester
  • formic acid, isopropyl ester
  • 1-methyl ethyl formate
  • 1-methylethyl formate
  • propan-2-yl formate
  • iso propyl methanoate
  • iso- propyl-formate
  • iso propylformate
  • Iso-propyl methanoate

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

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Perfumer & Flavorists Start search
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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):HMDB40579
FooDB:FDB020361
Export Tariff Code:2915.13.5000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 88.106163024902
Boiling Point 67 to 70°C @ 760 mm Hg
Vapor Pressure 127.065002 mmHg @ 25 °C
Flash Point TCC Value -13.89 °C TCC
logP (o/w) 0.73 est
Solubility
alcohol Yes
water, 2.967e+004 mg/L @ 25 °C (est) Yes
water, 2.07E+04 mg/L @ 25 °C (exp) Yes
water No

Organoleptic Properties

Odor Type: Ethereal
ethereal, solvent, cocoa, tropical, sweet, fruity
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity < 1 hour(s) at 100.00 %
Luebke, William tgsc, (2007) At 10.00 % in dipropylene glycol. ethereal solvent cocoa tropical
Mosciano, Gerard P&F 15, No. 3, 51, (1990) Sweet, etherial, solvent like with a fruity lift
Flavor Type: Fruity
sweet, fruity, berry
Mosciano, Gerard P&F 15, No. 3, 51, (1990) At 35.00 ppm. Sweet, fruity with a berry lift

Occurrences

Potential Uses

Applications
Odor purposes Apple, Melon, Papaya, Plum, Raspberry, Saffron
Flavoring purposes Tropical

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 12 - Extremely flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 09 - Keep container in a well-ventilated place.
S 16 - Keep away from sources of ignition - No Smoking.
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 33 - Take precautionary measures against static discharge.
S 36/37/39 - Wear suitable clothing, 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.
Oral/Parenteral Toxicity:
oral-rat LD50 4300 mg/kg
(FDA, 1975a)

oral-rabbit LD50 2500 mg/kg
(FDA, 1975a)

oral-guinea pig LD50 2700 mg/kg
(FDA, 1975a)

oral-chicken LD50 2100 mg/kg
(FDA, 1975a)

oral-guinea pig LD50 1400 mg/kg
"Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 4, Pg. 256, 1969.

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
Recommendation for isopropyl formate usage levels up to:
2.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.45 (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: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: 60.00000100.00000
beverages(nonalcoholic): 18.0000025.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 18.0000025.00000
fruit ices: 18.0000025.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 55.00000100.00000
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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission
View page or View pdf

Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):625-55-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12257
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1281
WGK Germany:1
propan-2-yl formate
Chemidplus:0000625558
RTECS:LQ8750000 for cas# 625-55-8