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

2,3-epoxyheptanal
(2S,3R)-3-butyloxirane-2-carbaldehyde

Supplier Sponsors

Name:(2S,3R)-3-butyloxirane-2-carbaldehyde
CAS Number: 58936-30-4Picture of molecule3D/inchi
Nikkaji Web:J1.658.982I
XlogP3-AA:1.30 (est)
Molecular Weight:128.17104000
Formula:C7 H12 O2
NMR Predictor:Predict (works with chrome 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
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
 
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
 
Organoleptic Properties:
Odor Type: citrus
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
citrus fatty green
Odor Description:at 10.00 % in dipropylene glycol. citrus fatty green
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2,3-Epoxyheptanal
Penta International
2,3-EPOXYHEPTANAL
R C Treatt & Co Ltd
2,3-Epoxyheptanal
Kosher
Taytonn
2,3-Epoxyheptanal
 
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
 
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
 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
 
Safety References:
EPI System: View
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
 
References:
 (2S,3R)-3-butyloxirane-2-carbaldehyde
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6429292
Pubchem (sid):10545440
 
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):Search
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
green hexanal
FL/FR
octanal (aldehyde C-8)
FL/FR
balsamic
guaiyl acetate
FL/FR
caramellic
maltyl isobutyrate
FL/FR
citrus
4-
decenal
FL/FR
2-
tetradecenal
FL/FR
(E)-2-
tetradecenal
FL/FR
ethereal
iso
valeraldehyde propylene glycol acetal
FL/FR
fatty
decanoic acid
FL/FR
2-
decen-1-ol
FL/FR
(E)-2-
decen-1-ol
FL/FR
3-
decen-2-one
FL/FR
(E,Z)-2,6-
dodecadienal
FL/FR
methyl 2-hexenoate
FL/FR
6-
methyl-5-hepten-2-one propylene glycol acetal
FL/FR
2-
nonenal
FL/FR
(E)-2-
nonenal
FL/FR
2-
octenal
FL/FR
10-
undecen-2-one
FL/FR
floral
citronellyl acetate
FL/FR
phenethyl acetate
FL/FR
fruity
iso
amyl octanoate
FL/FR
iso
amyl propionate
FL/FR
decanal methyl enol ether
FL/FR
octen-1-yl cyclopentanone
FL/FR
propyl isobutyrate
FL/FR
tropical indene
FR
tropical ionone
FL/FR
tropical thiazole
FL/FR
(E)-2-
undecenal
FL/FR
green
cilantro leaf oil
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal (aldehyde C-7)
FL/FR
heptanal dimethyl acetal
FL/FR
(Z)-4-
heptenal
FL/FR
2-
heptyl furan
FL/FR
hexanal (aldehyde C-6)
FL/FR
(Z)-3-
hexenal
FL/FR
(E,Z)-3,6-
nonadien-1-ol
FL/FR
(Z)-2-
nonen-1-ol
FL/FR
(E)-2-
nonen-1-ol
FL/FR
octanal diethyl acetal
FL/FR
1-
penten-3-ol
FL/FR
herbal
3-
octyl acetate
FL/FR
viridiflorol
FL/FR
spicy
cumin seed absolute
FL/FR
sulfurous
buchu mercaptan
FL/FR
cassis pentanone
FL/FR
passiflora acetate
FL/FR
tropical
tropical 3-thiobutyrate
FL/FR
waxy
9-
decenoic acid
FL/FR
heptyl octanoate
FL/FR
2,4-
nonadien-1-ol
FL/FR
propyl decanoate
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
iso
amyl 3-methyl thiopropionate
FL
(E)-2-
decen-1-ol
FL/FR
9-
decen-2-one
FL
4-
decenal
FL/FR
11-
dodecenoic acid
FL
2,3-
epoxydecanal
FL
2,3-
epoxyoctanal
FL
ethyl 3-octenoate
FL
furfuryl hexanoate
FL
guaiyl acetate
FL/FR
(E,E)-2,4-
heptadien-1-ol
FL
hexanal butane-2,3-diol acetal
FL
hexyl (E)-2-hexenoate
FL
methyl 2-hexenoate
FL/FR
6-
methyl octanal
FL
6-
methyl-5-hepten-2-one propylene glycol acetal
FL/FR
2-
octenal
FL/FR
propyl decanoate
FL/FR
2-
propyl pyridine
FL
2-
tetradecenal
FL/FR
viridiflorol
FL/FR
decanal methyl enol ether
FL/FR
(±)-3-(
methyl thio) heptanal
FL
10-
undecen-2-one
FL/FR
aldehydic
aldehydic
octanal (aldehyde C-8)
FL/FR
alliaceous
tropical thiazole
FL/FR
citrus
cilantro leaf oil
FL/FR
fatty
2,4-
decadienal
FL
(E,E)-2,4-
dodecadienal
FL
(E,E)-2,4-
heptadienal
FL
2-
heptyl furan
FL/FR
2,4-
nonadien-1-ol
FL/FR
2,4-
nonadienal
FL
(Z)-2-
nonen-1-ol
FL/FR
2-
nonenal
FL/FR
floral
citronellyl acetate
FL/FR
tropical ionone
FL/FR
fruity
iso
amyl octanoate
FL/FR
iso
amyl propionate
FL/FR
methyl (E)-3-nonenoate
FL
octen-1-yl cyclopentanone
FL/FR
propyl isobutyrate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
green
cassis pentanone
FL/FR
3-
decen-2-one
FL/FR
dihydroxyacetophenone (mixed isomers)
FL
(E,Z)-2,6-
dodecadienal
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal (aldehyde C-7)
FL/FR
heptanal dimethyl acetal
FL/FR
(Z)-4-
heptenal
FL/FR
(E)-2-
heptenal
FL
2,4-
hexadienal
FL
hexanal (aldehyde C-6)
FL/FR
(Z)-3-
hexenal
FL/FR
2-
hexyl pyridine
FL
(E,Z)-3,6-
nonadien-1-ol
FL/FR
(E)-2-
nonen-1-ol
FL/FR
(E)-2-
nonenal
FL/FR
(E,E)-2,4-
octadienal
FL
2,4-
octadienal
FL
octanal diethyl acetal
FL/FR
3-
octyl acetate
FL/FR
1-
penten-3-ol
FL/FR
herbal
green hexanal
FL/FR
honey
phenethyl acetate
FL/FR
jammy
maltyl isobutyrate
FL/FR
soapy
decanoic acid
FL/FR
spicy
cumin seed absolute
FL/FR
sulfurous
buchu mercaptan
FL/FR
methyl 2-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
tropical 3-thiobutyrate
FL/FR
tropical
passiflora acetate
FL/FR
vegetable
2-
octen-4-one
FL/FR
waxy
2-
decen-1-ol
FL/FR
9-
decenoic acid
FL/FR
heptyl octanoate
FL/FR
(E)-2-
tetradecenal
FL/FR
(E)-2-
undecenal
FL/FR
 
Potential Uses:
FLcitrus
FLfruit tropical fruit
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
3-butyl oxirane carboxaldehyde
(2S,3R)-3-butyloxirane-2-carbaldehyde
 

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