2,3-epoxyheptanal
(2S,3R)-3-butyloxirane-2-carbaldehyde
 
Notes:
None found
  • BOC Sciences
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      Product(s):
      58936-30-4 2,3-Epoxyheptanal
       
  • Endeavour Specialty Chemicals
    • Endeavour Specialty Chemicals Ltd
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      AL0222 2,3-Epoxyheptanal (10% in TEC)
       
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      05-05570 2,3-EPOXYHEPTANAL
       
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    • R C Treatt and Co Ltd
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      2,3-Epoxyheptanal Kosher
       
Synonyms   Articles   Notes   Search
CAS Number: 58936-30-4Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web: J1.658.982I
XlogP3-AA: 1.30 (est)
Molecular Weight: 128.17104000
Formula: C7 H12 O2
NMR Predictor: Predict (works with chrome, Edge or firefox)
EFSA/JECFA Comments: SC: 2-3% trans-2-heptenal
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
JECFA Food Flavoring: 2148  2,3-epoxyheptanal
FEMA Number: 4658 2,3-epoxyheptanal
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):58936-30-4 ; 2,3-EPOXYHEPTANAL
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 94.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 0.93800 to 0.94800 @  20.00 °C.
Pounds per Gallon - (est).: 7.814 to  7.898
Refractive Index: 1.42700 to 1.43700 @  20.00 °C.
Boiling Point: 60.00 °C. @ 9.00 mm Hg
Vapor Pressure: 0.822000 mmHg @ 25.00 °C. (est)
Flash Point: 154.00 °F. TCC ( 67.78 °C. )
logP (o/w): 0.954 (est)
Soluble in:
 alcohol
 water, 2858 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: citrus
 
 citrus  fatty  green  
Odor Description:
at 10.00 % in dipropylene glycol. 
citrus fatty green
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
2,3-Epoxyheptanal
Endeavour Specialty Chemicals
2,3-Epoxyheptanal (10% in TEC)
Speciality Chemical Product Groups
Endeavour Specialty Chemicals
2,3-Epoxyheptanal
Penta International
2,3-EPOXYHEPTANAL
R C Treatt & Co Ltd
2,3-Epoxyheptanal
Kosher
Robinson Brothers
2,3-Epoxyheptanal (10% in TEC)
https://www.robinsonbrothers.uk/chemistry-competences
Robinson Brothers
2,3-Epoxyheptanal
Taytonn ASCC
2,3-Epoxyheptanal
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Safety Information:
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavoring agents
Recommendation for 2,3-epoxyheptanal usage levels up to:
 not for fragrance use.
 
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: 24
Click here to view publication 24
 average usual ppmaverage maximum ppm
baked goods: 0.100001.00000
beverages(nonalcoholic): 0.001000.10000
beverages(alcoholic): --
breakfast cereal: --
cheese: 0.100001.00000
chewing gum: --
condiments / relishes: 0.100001.00000
confectionery froastings: --
egg products: --
fats / oils: 0.100001.00000
fish products: 0.100001.00000
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: 0.100001.00000
jams / jellies: --
meat products: 0.100001.00000
milk products: 0.100001.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 1.0000010.00000
snack foods: 0.100001.00000
soft candy: --
soups: 0.100001.00000
sugar substitutes: --
sweet sauces: 0.100001.00000
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 6429292
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 (2S,3R)-3-butyloxirane-2-carbaldehyde
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References:
 (2S,3R)-3-butyloxirane-2-carbaldehyde
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 6429292
Pubchem (sid): 10545440
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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
HMDB (The Human Metabolome Database): Search
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
aldehydic
aldehydic
 green hexanalFL/FR
 octanal (aldehyde C-8)FL/FR
balsamic
 guaiyl acetateFL/FR
caramellic
 maltyl isobutyrateFL/FR
citrus
4-decenalFL/FR
2-tetradecenalFL/FR
(E)-2-tetradecenalFL/FR
ethereal
isovaleraldehyde propylene glycol acetalFL/FR
 decanoic acidFL/FR
(E)-2-decen-1-olFL/FR
2-decen-1-olFL/FR
3-decen-2-oneFL/FR
(E,Z)-2,6-dodecadienalFL/FR
 methyl 2-hexenoateFL/FR
6-methyl-5-hepten-2-one propylene glycol acetalFL/FR
2-nonenalFL/FR
(E)-2-nonenalFL/FR
2-octenalFL/FR
10-undecen-2-oneFL/FR
floral
 citronellyl acetateFL/FR
 phenethyl acetateFL/FR
isoamyl octanoateFL/FR
isoamyl propionateFL/FR
 decanal methyl enol etherFL/FR
 geranyl methyl tiglate 
 octen-1-yl cyclopentanoneFL/FR
 propyl isobutyrateFL/FR
 tropical indeneFR
 tropical iononeFL/FR
 tropical thiazoleFL/FR
(E)-2-undecenalFL/FR
green
 cilantro leaf oilFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 heptanal (aldehyde C-7)FL/FR
 heptanal dimethyl acetalFL/FR
(Z)-4-heptenalFL/FR
2-heptyl furanFL/FR
 hexanal (aldehyde C-6)FL/FR
(Z)-3-hexenalFL/FR
(E,Z)-3,6-nonadien-1-olFL/FR
(Z)-2-nonen-1-olFL/FR
(E)-2-nonen-1-olFL/FR
 octanal diethyl acetalFL/FR
1-penten-3-olFL/FR
herbal
3-octyl acetateFL/FR
 viridiflorolFL/FR
spicy
 cumin seed absoluteFL/FR
sulfurous
 buchu mercaptanFL/FR
 cassis pentanoneFL/FR
 passiflora acetateFL/FR
tropical
 tropical 3-thiobutyrateFL/FR
waxy
9-decenoic acidFL/FR
 heptyl octanoateFL/FR
2,4-nonadien-1-olFL/FR
 propyl decanoateFL/FR
yeasty
2-octen-4-oneFL/FR
 
For Flavor
 
No flavor group found for these
isoamyl 3-methyl thiopropionateFL
(E)-2-decen-1-olFL/FR
9-decen-2-oneFL
4-decenalFL/FR
11-dodecenoic acidFL
2,3-epoxydecanalFL
2,3-epoxyoctanalFL
 ethyl 3-octenoateFL
 furfuryl hexanoateFL
 guaiyl acetateFL/FR
(E,E)-2,4-heptadien-1-olFL
 hexanal butane-2,3-diol acetalFL
 hexyl (E)-2-hexenoateFL
 methyl 2-hexenoateFL/FR
6-methyl octanalFL
6-methyl-5-hepten-2-one propylene glycol acetalFL/FR
2-octenalFL/FR
 propyl decanoateFL/FR
2-propyl pyridineFL
2-tetradecenalFL/FR
 viridiflorolFL/FR
 decanal methyl enol etherFL/FR
(±)-3-(methyl thio) heptanalFL
10-undecen-2-oneFL/FR
aldehydic
 octanal (aldehyde C-8)FL/FR
alliaceous
 tropical thiazoleFL/FR
citrus
 cilantro leaf oilFL/FR
fatty
2,4-decadienalFL
(E,E)-2,4-dodecadienalFL
(E,E)-2,4-heptadienalFL
2-heptyl furanFL/FR
2,4-nonadien-1-olFL/FR
2,4-nonadienalFL
(Z)-2-nonen-1-olFL/FR
2-nonenalFL/FR
floral
 citronellyl acetateFL/FR
 tropical iononeFL/FR
fruity
isoamyl octanoateFL/FR
isoamyl propionateFL/FR
 geranyl methyl tiglate 
 methyl (E)-3-nonenoateFL
 octen-1-yl cyclopentanoneFL/FR
 propyl isobutyrateFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
green
 cassis pentanoneFL/FR
3-decen-2-oneFL/FR
 dihydroxyacetophenone (mixed isomers)FL
(E,Z)-2,6-dodecadienalFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 heptanal (aldehyde C-7)FL/FR
 heptanal dimethyl acetalFL/FR
(E)-2-heptenalFL
(Z)-4-heptenalFL/FR
2,4-hexadienalFL
 hexanal (aldehyde C-6)FL/FR
(Z)-3-hexenalFL/FR
2-hexyl pyridineFL
(E,Z)-3,6-nonadien-1-olFL/FR
(E)-2-nonen-1-olFL/FR
(E)-2-nonenalFL/FR
(E,E)-2,4-octadienalFL
2,4-octadienalFL
 octanal diethyl acetalFL/FR
3-octyl acetateFL/FR
1-penten-3-olFL/FR
herbal
 green hexanalFL/FR
honey
 phenethyl acetateFL/FR
jammy
 maltyl isobutyrateFL/FR
soapy
 decanoic acidFL/FR
spicy
 cumin seed absoluteFL/FR
sulfurous
 buchu mercaptanFL/FR
 methyl 2-(methyl thio) butyrateFL
 methyl thiomethyl butyrateFL
 tropical 3-thiobutyrateFL/FR
tropical
 passiflora acetateFL/FR
vegetable
2-octen-4-oneFL/FR
waxy
2-decen-1-olFL/FR
9-decenoic acidFL/FR
 heptyl octanoateFL/FR
(E)-2-tetradecenalFL/FR
(E)-2-undecenalFL/FR
 
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Potential Uses:
 citrusFL
 fruit tropical fruitFL
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
3-butyl oxirane carboxaldehyde
(2S,3R)-3-butyloxirane-2-carbaldehyde
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