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

2-heptenoic acid
(1-hexenyl)carboxylic acid

Supplier Sponsors

CAS Number: 18999-28-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:242-738-8
MDL:MFCD00014019
XlogP3-AA:2.10 (est)
Molecular Weight:128.17104000
Formula:C7 H12 O2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Composition of mixture to be specified.
Category:flavoring 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
FLAVIS Number:08.083 (Old)
DG SANTE Food Flavourings:08.083 hept-2-enoic acid
FEMA Number:3920 2-heptenoic acid
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):18999-28-5 ; (E)-2-HEPTENOIC ACID
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.95000 to 0.95400 @ 20.00 °C.
Pounds per Gallon - (est).: 7.914 to 7.947
Refractive Index:1.45400 to 1.45800 @ 20.00 °C.
Melting Point: -19.00 °C. @ 760.00 mm Hg
Boiling Point: 226.00 to 228.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.029000 mmHg @ 25.00 °C. (est)
Vapor Density:4.4 ( Air = 1 )
Flash Point: 212.00 °F. TCC ( 100.00 °C. )
logP (o/w): 2.186 (est)
Soluble in:
 alcohol
 water
 water, 2389 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: green
Odor Strength:high ,
recommend smelling in a 1.00 % solution or less
green grassy fruity ethereal
Odor Description:at 1.00 % in propylene glycol. green grassy fruity ethereal
Odor and/or flavor descriptions from others (if found).
Frutarom
2-HEPTENOIC ACID
Odor Description:Fruity, Green Grassy
Suggested Uses: Alcoholic Beverages, Savoury
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-Heptenoic Acid
Frutarom
2-HEPTENOIC ACID
Odor: Fruity, Green Grassy
Use: Suggested Uses: Alcoholic Beverages, Savoury
Matrix Scientific
For experimental / research use only.
2-Heptenoic acid, 97%
Nagar Haveli Perfumes & Aromatics
2-Heptenoic Acid
Odor: Green grassy fruity ether
Santa Cruz Biotechnology
For experimental / research use only.
2-Heptenoic Acid
Synerzine
2-Heptenoic Acid
Taytonn
2-Heptenoic Acid
Odor: Fruity, Grass, Green
TCI AMERICA
For experimental / research use only.
2-Heptenoic Acid (contains 3-Heptenoic Acid) >90.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
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 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:
intraperitoneal-mouse LD50 1600 mg/kg
Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969.

Dermal Toxicity:
subcutaneous-mouse LD50 1600 mg/kg
Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for 2-heptenoic acid usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 6.10 (μg/capita/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
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: 19
 average usual ppmaverage maximum ppm
baked goods: 1.000002.00000
beverages(nonalcoholic): 1.000001.50000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 1.000002.00000
fruit ices: --
gelatins / puddings: 0.500001.00000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.010000.10000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 1.000002.00000
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):

Scientific Opinion on Flavouring Group Evaluation 71: Consideration of aliphatic, linear, alpha,beta-unsaturated carboxylic acids and related esters
View page or View pdf

Flavouring Group Evaluation 72 (FGE.72): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids. Esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010)
View page or View pdf

Flavouring Group Evaluation 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :29373
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
hept-2-enoic acid
Chemidplus:0018999285
RTECS:MJ9650000 for cas# 18999-28-5
 
References:
 hept-2-enoic acid
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):29373
Pubchem (sid):135073750
 
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
HMDB (The Human Metabolome Database):HMDB31484
FooDB:FDB008062
Export Tariff Code:2916.19.3000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
(E)-
tiglaldehyde
FL/FR
alcoholic
alcoholic
fusel oil
FL/FR
alliaceous
dibutyl sulfide
FL/FR
animal
para-
cresyl isobutyrate
FL/FR
chemical
iso
butyl formate
FL/FR
citrus
lemongrass oil
FL/FR
litsea cubeba fruit oil
FL/FR
ethereal
acetal
FL/FR
butyl acetate
FL/FR
ethyl acetate
FL/FR
ethyl pyruvate
FL/FR
iso
propyl acetate
FL/FR
propyl valerate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
fatty
3-
decen-2-one
FL/FR
methyl 2-hexenoate
FL/FR
fermented
3-
methyl-1-pentanol
FL/FR
floral
citronellyl propionate
FL/FR
(E)-
geranyl acetone
FL/FR
mimosa absolute
FL/FR
mimosa absolute france
FL/FR
mimosa absolute india
FL/FR
mimosa absolute morocco
FL/FR
nonan-3-yl acetate
FL/FR
papaya isobutyrate
FL/FR
fruity
acetaldehyde dihexyl acetal
FL/FR
acetaldehyde diisoamyl acetal
FL/FR
amyl acetate
FL/FR
amyl formate
FL/FR
amyl heptanoate
FL/FR
amyl hexanoate
FL/FR
benzyl methyl ether
FL/FR
berry pentadienoate
FL/FR
iso
butyl acetate
FL/FR
iso
butyl valerate
FL/FR
2-
ethyl butyl acetate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
ethyl propionate
FL/FR
geranyl ethyl ether
FL/FR
geranyl isovalerate
FL/FR
heptyl isobutyrate
FL/FR
hexanal propylene glycol acetal
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl isovalerate
FL/FR
hexyl propionate
FL/FR
linalyl hexanoate
FL/FR
methyl 2-methyl butyrate
FL/FR
methyl butyrate
FL/FR
methyl hexanoate
FL/FR
methyl isobutyrate
FL/FR
methyl valerate
FL/FR
2-
methyl-2-pentenal
FL/FR
2-
pentanone
FL/FR
4-
phenyl-2-butyl acetate
FL/FR
prenyl ethyl ether
FL/FR
iso
propyl butyrate
FL/FR
iso
propyl propionate
FL/FR
green
acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR
actinidia chinensis fruit extract
FL/FR
alfalfa oil
FL/FR
alfalfa resinoid
FL/FR
butyl 2-methyl butyrate
FL/FR
butyl heptanoate
FL/FR
sec-
butyl-3-methyl but-2-ene thioate
FL/FR
cognac heptanone
FL/FR
alpha-
decalactone
FL/FR
3,7-
dimethyl-6-octenoic acid
FL/FR
ethyl (E)-2-hexenoate
FL/FR
ethyl (E)-4-decenoate
FL/FR
(Z)-3-
hepten-1-ol
FL/FR
3-
hepten-2-one
FL/FR
heptyl heptanoate
FL/FR
hexanal (aldehyde C-6)
FL/FR
hexanal dihexyl acetal
FL/FR
(Z)-3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexenal
FL/FR
2-
hexenyl acetate
FL/FR
hexyl butyrate
FL/FR
hexyl hexanoate
FL/FR
hexyl isobutyrate
FL/FR
lilac acetaldehyde
FL/FR
(Z)-2-
penten-1-ol
FL/FR
(E)-2-
pentenal
FL/FR
alpha-iso
propyl phenyl acetaldehyde
FL/FR
propylene acetal
FL/FR
sorbyl isobutyrate
FL/FR
thiogeraniol
FL/FR
3,5,5-
trimethyl hexanol
FL/FR
herbal
iso
amyl heptanoate
FL/FR
minty
iso
pulegol
FL/FR
(-)-iso
pulegol
FL/FR
sulfurous
buchu mercaptan
FL/FR
waxy
9-
decenoic acid
FL/FR
(E)-
methyl geranate
FL/FR
For Flavor
No flavor group found for these
acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR
acetaldehyde diisoamyl acetal
FL/FR
2-
acetyl-4-isopropenyl pyridine
FL
2-
acetyl-4-isopropyl pyridine
FL
actinidia chinensis fruit juice
FL
butyl 2-methyl butyrate
FL/FR
butyl methyl ketone
FL
sec-
butyl-3-methyl but-2-ene thioate
FL/FR
alpha-
decalactone
FL/FR
ethyl 2-methyl-2-(methyl thio) propionate
FL
2-
ethyl pyridine
FL
3-(2-
furyl) acrolein
FL
geranyl ethyl ether
FL/FR
(E,E)-2,4-
heptadien-1-ol
FL
(Z)-3-
hepten-1-ol
FL/FR
hexanal dihexyl acetal
FL/FR
2-
hexenal diethyl acetal
FL
(Z)-3-
hexenoic acid
FL
2-
hexenyl acetate
FL/FR
hexyl propionate
FL/FR
linalyl hexanoate
FL/FR
methyl 2-hexenoate
FL/FR
methyl 4-pentenoate
FL
2-
methyl butyl isobutyrate
FL
2-
methyl butyl propionate
FL
(E)-
methyl geranate
FL/FR
3-(
methyl thio) hexanal
FL
S-(
methyl thio) hexanoate
FL
nonan-3-yl acetate
FL/FR
(E,E)-3,5-
octadien-2-one
FL
4-
phenyl-2-butyl acetate
FL/FR
prenyl ethyl ether
FL/FR
alpha-iso
propyl phenyl acetaldehyde
FL/FR
propyl valerate
FL/FR
propylene acetal
FL/FR
(E)-
tiglaldehyde
FL/FR
sorbyl isobutyrate
FL/FR
aromatic
aromatic
para-
cresyl isobutyrate
FL/FR
berry
heptyl isobutyrate
FL/FR
citrus
cognac heptanone
FL/FR
lemongrass oil
FL/FR
litsea cubeba fruit oil
FL/FR
creamy
3-
hepten-2-one
FL/FR
earthy
1-
hexen-3-yl acetate
FL
ethereal
butyl acetate
FL/FR
ethyl acetate
FL/FR
methyl isobutyrate
FL/FR
iso
propyl acetate
FL/FR
fatty
ethyl (E)-4-decenoate
FL/FR
floral
citronellyl propionate
FL/FR
3,7-
dimethyl-6-octenoic acid
FL/FR
(E)-
geranyl acetone
FL/FR
mimosa absolute morocco
FL/FR
fruity
amyl acetate
FL/FR
amyl formate
FL/FR
amyl heptanoate
FL/FR
amyl hexanoate
FL/FR
benzyl methyl ether
FL/FR
berry pentadienoate
FL/FR
iso
butyl acetate
FL/FR
butyl heptanoate
FL/FR
iso
butyl valerate
FL/FR
ethyl (E)-2-hexenoate
FL/FR
2-
ethyl butyl acetate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
ethyl propionate
FL/FR
fusel oil
FL/FR
hexanal propylene glycol acetal
FL/FR
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl hexanoate
FL/FR
lilac acetaldehyde
FL/FR
methyl 2-methyl butyrate
FL/FR
2-
methyl allyl butyrate
FL
methyl hexanoate
FL/FR
methyl valerate
FL/FR
2-
methyl-2-pentenal
FL/FR
2-
pentanone
FL/FR
iso
propyl butyrate
FL/FR
iso
propyl propionate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
fusel
methyl butyrate
FL/FR
green
acetaldehyde dihexyl acetal
FL/FR
actinidia chinensis fruit extract
FL/FR
alfalfa oil
FL/FR
alfalfa resinoid
FL/FR
3-
decen-2-one
FL/FR
dibutyl sulfide
FL/FR
2-
ethyl butyraldehyde
FL
geranyl isovalerate
FL/FR
heptyl heptanoate
FL/FR
hexanal (aldehyde C-6)
FL/FR
(Z)-3-
hexen-1-ol
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexenal
FL/FR
(E)-2-
hexenal diethyl acetal
FL
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl isovalerate
FL/FR
papaya isobutyrate
FL/FR
(Z)-2-
penten-1-ol
FL/FR
(E)-2-
pentenal
FL/FR
3,5,5-
trimethyl hexanol
FL/FR
herbal
iso
amyl heptanoate
FL/FR
minty
iso
pulegol
FL/FR
(-)-iso
pulegol
FL/FR
thiogeraniol
FL/FR
nutty
acetal
FL/FR
rummy
iso
butyl formate
FL/FR
ethyl pyruvate
FL/FR
sour
3-
methyl valeric acid
FL
sulfurous
buchu mercaptan
FL/FR
waxy
9-
decenoic acid
FL/FR
mimosa absolute
FL/FR
mimosa absolute france
FL/FR
mimosa absolute india
FL/FR
whiskey
3-
methyl-1-pentanol
FL/FR
 
Potential Uses:
FRfruit
 grass
FLgreen
FLherbal
FLwine
 
Occurrence (nature, food, other):note
 beer - up to 0.01 mg/kg
Search PMC Picture
 grape
Search Trop Picture
 pork
Search PMC Picture
 wine
Search Picture
 
Synonyms:
 hept-2-enoic acid
(1-hexenyl)carboxylic acid
 
 
Notes:
Used as a food additive [EAFUS]
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