2-heptenoic acid
(1-hexenyl)carboxylic acid
 
Notes:
Used as a food additive [EAFUS]
  • BOC Sciences
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      Product(s):
      18999-28-5 2-Heptenoic Acid
       
  • Synerzine
    • Synerzine, Inc.
      Innovation. Customization. Aroma Ingredients.
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      Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster.
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      Product(s):
      C702 2-Heptenoic Acid
       
  • Taytonn
    • TAYTONN PTE LTD
      Supplying Asia Pacific
      We fully understand the demands of the F&F industry and we endeavour to supply quality products, with ready availability and a personalised service.
      Since 2001 TAYTONN has been distributing key ingredients to the Fragrance and Flavor industry in Asia. We work closely with customers, principals and vendors. Together we forecast demand and match it with supply of aroma chemicals, essential oils and natural isolates & extracts. Sourced from around the world, our F&F ingredient inventory in Singapore is ready to ship to any location in Asia and beyond. Time and again, we help our principals introduce new discoveries to the F&F market - stimulating creativity and bringing value added proposition to our customers.
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      2-Heptenoic Acid
       
  • TCI AMERICA
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      Product(s):
      H0426 2-Heptenoic Acid (contains 3-Heptenoic Acid) >90.0%(GC)
       
Synonyms   Articles   Notes   Search
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
Synonyms   Articles   Notes   Search   Top
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)
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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
 
 
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Cosmetic Information:
None found
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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)
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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
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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
Click here to view publication 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: --
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Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of alpha,beta-unsaturated aldehydes and related substances used as flavor ingredients. View pdf
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
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References:
 hept-2-enoic acid
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 29373
Pubchem (sid): 135073750
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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
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
No odor group found for these
(E)-tiglaldehydeFL/FR
alcoholic
 fusel oilFL/FR
alliaceous
 dibutyl sulfideFL/FR
animal
para-cresyl isobutyrateFL/FR
chemical
isobutyl formateFL/FR
citrus
 lemongrass oilFL/FR
 litsea cubeba fruit oilFL/FR
ethereal
 acetalFL/FR
 butyl acetateFL/FR
 ethyl acetateFL/FR
 ethyl pyruvateFL/FR
isopropyl acetateFL/FR
 propyl valerateFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
fatty
3-decen-2-oneFL/FR
 methyl 2-hexenoateFL/FR
fermented
3-methyl-1-pentanolFL/FR
floral
 citronellyl propionateFL/FR
(E)-geranyl acetoneFL/FR
 mimosa absoluteFL/FR
 mimosa absolute franceFL/FR
 mimosa absolute indiaFL/FR
 mimosa absolute moroccoFL/FR
 nonan-3-yl acetateFL/FR
 papaya isobutyrateFL/FR
fruity
 acetaldehyde dihexyl acetalFL/FR
 acetaldehyde diisoamyl acetalFL/FR
 amyl acetateFL/FR
 amyl formateFL/FR
 amyl heptanoateFL/FR
 amyl hexanoateFL/FR
 benzyl methyl etherFL/FR
 berry pentadienoateFL/FR
isobutyl acetateFL/FR
isobutyl valerateFL/FR
2-ethyl butyl acetateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 ethyl propionateFL/FR
 geranyl ethyl etherFL/FR
 geranyl isovalerateFL/FR
 heptyl isobutyrateFL/FR
 hexanal propylene glycol acetalFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 hexyl propionateFL/FR
 linalyl hexanoateFL/FR
 methyl 2-methyl butyrateFL/FR
 methyl butyrateFL/FR
 methyl hexanoateFL/FR
 methyl isobutyrateFL/FR
 methyl valerateFL/FR
2-methyl-2-pentenalFL/FR
2-pentanoneFL/FR
4-phenyl-2-butyl acetateFL/FR
 prenyl ethyl etherFL/FR
isopropyl butyrateFL/FR
isopropyl propionateFL/FR
green
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 actinidia chinensis fruit extractFL/FR
 alfalfa oilFL/FR
 alfalfa resinoidFL/FR
 butyl 2-methyl butyrateFL/FR
 butyl heptanoateFL/FR
sec-butyl-3-methyl but-2-ene thioateFL/FR
 cognac heptanoneFL/FR
alpha-decalactoneFL/FR
3,7-dimethyl-6-octenoic acidFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-4-decenoateFL/FR
(Z)-3-hepten-1-olFL/FR
3-hepten-2-oneFL/FR
 heptyl heptanoateFL/FR
 hexanal (aldehyde C-6)FL/FR
 hexanal dihexyl acetalFL/FR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexenalFL/FR
2-hexenyl acetateFL/FR
 hexyl butyrateFL/FR
 hexyl hexanoateFL/FR
 hexyl isobutyrateFL/FR
 lilac acetaldehydeFL/FR
(Z)-2-penten-1-olFL/FR
(E)-2-pentenalFL/FR
alpha-isopropyl phenyl acetaldehydeFL/FR
 propylene acetalFL/FR
 sorbyl isobutyrateFL/FR
 thiogeraniolFL/FR
3,5,5-trimethyl hexanolFL/FR
herbal
isoamyl heptanoateFL/FR
minty
(-)-isopulegolFL/FR
isopulegolFL/FR
spicy
3-(2-furyl) acroleinFL/FR
sulfurous
 buchu mercaptanFL/FR
waxy
9-decenoic acidFL/FR
(E)-methyl geranateFL/FR
 
For Flavor
 
No flavor group found for these
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 acetaldehyde diisoamyl acetalFL/FR
2-acetyl-4-isopropenyl pyridineFL
2-acetyl-4-isopropyl pyridineFL
 actinidia chinensis fruit juiceFL
 butyl 2-methyl butyrateFL/FR
 butyl methyl ketoneFL
sec-butyl-3-methyl but-2-ene thioateFL/FR
alpha-decalactoneFL/FR
 ethyl 2-methyl-2-(methyl thio) propionateFL
2-ethyl pyridineFL
3-(2-furyl) acroleinFL/FR
 geranyl ethyl etherFL/FR
(E,E)-2,4-heptadien-1-olFL
(Z)-3-hepten-1-olFL/FR
 hexanal dihexyl acetalFL/FR
2-hexenal diethyl acetalFL
(Z)-3-hexenoic acidFL
2-hexenyl acetateFL/FR
 hexyl propionateFL/FR
 linalyl hexanoateFL/FR
 methyl 2-hexenoateFL/FR
 methyl 4-pentenoateFL
2-methyl butyl isobutyrateFL
2-methyl butyl propionateFL
(E)-methyl geranateFL/FR
3-(methyl thio) hexanalFL
S-(methyl thio) hexanoateFL
 nonan-3-yl acetateFL/FR
(E,E)-3,5-octadien-2-oneFL
4-phenyl-2-butyl acetateFL/FR
 prenyl ethyl etherFL/FR
alpha-isopropyl phenyl acetaldehydeFL/FR
 propyl valerateFL/FR
 propylene acetalFL/FR
(E)-tiglaldehydeFL/FR
 sorbyl isobutyrateFL/FR
aromatic
para-cresyl isobutyrateFL/FR
berry
 heptyl isobutyrateFL/FR
citrus
 cognac heptanoneFL/FR
 lemongrass oilFL/FR
 litsea cubeba fruit oilFL/FR
creamy
3-hepten-2-oneFL/FR
earthy
1-hexen-3-yl acetateFL
ethereal
 butyl acetateFL/FR
 ethyl acetateFL/FR
 methyl isobutyrateFL/FR
isopropyl acetateFL/FR
fatty
 ethyl (E)-4-decenoateFL/FR
floral
 citronellyl propionateFL/FR
3,7-dimethyl-6-octenoic acidFL/FR
(E)-geranyl acetoneFL/FR
 mimosa absolute moroccoFL/FR
fruity
 amyl acetateFL/FR
 amyl formateFL/FR
 amyl heptanoateFL/FR
 amyl hexanoateFL/FR
 benzyl methyl etherFL/FR
 berry pentadienoateFL/FR
isobutyl acetateFL/FR
 butyl heptanoateFL/FR
isobutyl valerateFL/FR
 ethyl (E)-2-hexenoateFL/FR
2-ethyl butyl acetateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 ethyl propionateFL/FR
 fusel oilFL/FR
 hexanal propylene glycol acetalFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl hexanoateFL/FR
 lilac acetaldehydeFL/FR
 methyl 2-methyl butyrateFL/FR
2-methyl allyl butyrateFL
 methyl hexanoateFL/FR
 methyl valerateFL/FR
2-methyl-2-pentenalFL/FR
2-pentanoneFL/FR
isopropyl butyrateFL/FR
isopropyl propionateFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
fusel
 methyl butyrateFL/FR
green
 acetaldehyde dihexyl acetalFL/FR
 actinidia chinensis fruit extractFL/FR
 alfalfa oilFL/FR
 alfalfa resinoidFL/FR
3-decen-2-oneFL/FR
 dibutyl sulfideFL/FR
2-ethyl butyraldehydeFL
 geranyl isovalerateFL/FR
 heptyl heptanoateFL/FR
 hexanal (aldehyde C-6)FL/FR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexenalFL/FR
(E)-2-hexenal diethyl acetalFL
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 papaya isobutyrateFL/FR
(Z)-2-penten-1-olFL/FR
(E)-2-pentenalFL/FR
3,5,5-trimethyl hexanolFL/FR
herbal
isoamyl heptanoateFL/FR
minty
isopulegolFL/FR
(-)-isopulegolFL/FR
 thiogeraniolFL/FR
nutty
 acetalFL/FR
rummy
isobutyl formateFL/FR
 ethyl pyruvateFL/FR
sour
3-methyl valeric acidFL
sulfurous
 buchu mercaptanFL/FR
waxy
9-decenoic acidFL/FR
 mimosa absoluteFL/FR
 mimosa absolute franceFL/FR
 mimosa absolute indiaFL/FR
whiskey
3-methyl-1-pentanolFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 fruitFR
 grass 
 greenFL
 herbalFL
 wineFL
Synonyms   Articles   Notes   Search   Top
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   Articles   Notes   Search   Top
Synonyms:
 hept-2-enoic acid
(1-hexenyl)carboxylic acid
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