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

2,3-epoxyoctanal
3-pentyloxirane-2-carbaldehyde

Supplier Sponsors

Name:3-pentyloxirane-2-carbaldehyde
CAS Number: 42134-50-9Picture of molecule3D/inchi
Nikkaji Web:J868.492H
XlogP3-AA:1.80 (est)
Molecular Weight:142.19798000
Formula:C8 H14 O2
NMR Predictor:Predict (works with chrome or firefox)
Name:(2R,3S)-3-pentyloxirane-2-carbaldehyde
CAS Number: 42134-50-9 (RS)Picture of molecule3D/inchi
Nikkaji Web:J1.396.560I
XlogP3-AA:1.80 (est)
Molecular Weight:142.19798000
Formula:C8 H14 O2
NMR Predictor:Predict (works with chrome or firefox)
Name:(2S,3R)-3-pentyloxirane-2-carbaldehyde
CAS Number: 42134-50-9 (SR)Picture of molecule3D/inchi
Nikkaji Web:J845.083H
XlogP3-AA:1.80 (est)
Molecular Weight:142.19798000
Formula:C8 H14 O2
NMR Predictor:Predict (works with chrome or firefox)
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:2147 2,3-epoxyoctanal
FEMA Number:4657 2,3-epoxyoctanal
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):42134-50-9 ; 2,3-EPOXYOCTANAL
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.93600 to 0.94600 @ 20.00 °C.
Pounds per Gallon - (est).: 7.798 to 7.881
Refractive Index:1.43200 to 1.44200 @ 20.00 °C.
Boiling Point: 202.00 to 204.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.286000 mmHg @ 25.00 °C. (est)
Flash Point: 149.00 °F. TCC ( 65.00 °C. )
logP (o/w): 1.485 (est)
Soluble in:
 alcohol
 water, 954.2 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: citrus
Odor Strength:medium
citrus fatty fruity soapy
Odor Description:at 10.00 % in dipropylene glycol. citrus fatty fruity soapy
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-Oxiranecarboxaldehyde,3-pentyl-
Penta International
2,3-EPOXYOCTANAL
R C Treatt & Co Ltd
2,3-Epoxyoctanal
Kosher
Taytonn
2,3-Epoxyoctanal
 
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 36/39 - Wear suitable clothing 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-epoxyoctanal 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): 0.001000.10000
breakfast cereal: --
cheese: 0.100001.00000
chewing gum: 0.001000.10000
condiments / relishes: 0.100001.00000
confectionery froastings: --
egg products: 0.100001.00000
fats / oils: 0.100001.00000
fish products: --
frozen dairy: 0.010000.50000
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 :13694693
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3-pentyloxirane-2-carbaldehyde
(2R,3S)-3-pentyloxirane-2-carbaldehyde
(2S,3R)-3-pentyloxirane-2-carbaldehyde
 
References:
 3-pentyloxirane-2-carbaldehyde
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):13694693
Pubchem (sid):162854060
 (2R,3S)-3-pentyloxirane-2-carbaldehyde
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):11804864
Pubchem (sid):52534047
 (2S,3R)-3-pentyloxirane-2-carbaldehyde
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6429294
Pubchem (sid):10545443
 
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
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
green hexanal
FL/FR
mandarine undecenal
FL/FR
nonanal (aldehyde C-9)
FL/FR
octanal (aldehyde C-8)
FL/FR
2-
tridecenal
FL/FR
iso
valeraldehyde
FL/FR
citrus
4-
decenal
FL/FR
(Z)-
linalool oxide (pyranoid)
FL/FR
2-
methyl decanal (aldehyde C-11 MOA)
FL/FR
2-
tetradecenal
FL/FR
(E)-2-
tetradecenal
FL/FR
coconut
delta-
undecalactone
FL/FR
creamy
gamma-
butyrolactone
FL/FR
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
ethereal
decyl propionate
FL/FR
fatty
allyl decanoate
FL/FR
iso
butyl undecylenate
FL/FR
coconut absolute
FL/FR
2,4-
decadien-1-ol
FL/FR
(R)-gamma-
decalactone
FL/FR
(S)-gamma-
decalactone
FL/FR
decanoic acid
FL/FR
2-
decen-1-ol
FL/FR
(E)-2-
decen-1-ol
FL/FR
dodecyl butyrate
FL/FR
ethyl undecylenate
FL/FR
methyl 10-undecenoate
FL/FR
10-
undecen-2-one
FL/FR
floral
citronellal
FL/FR
citronellol
FL/FR
citronellyl propionate
FL/FR
geraniol
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
nerolidyl acetate
FL/FR
fruity
allyl cyclohexyl butyrate
FL/FR
decanal methyl enol ether
FL/FR
(S)-gamma-
dodecalactone
FL/FR
ethyl 5-hydroxyoctanoate
FL/FR
methyl 3-nonenoate
FL/FR
(E)-2-
nonen-1-yl acetate
FL/FR
octyl heptanoate
FL/FR
(E)-2-
undecenal
FL/FR
green
melon heptenal propylene glycol acetal
FL/FR
octanal diethyl acetal
FL/FR
(E)-2-
octen-1-ol
FL/FR
herbal
benzyl octanoate
FL/FR
perillaldehyde
FL/FR
sulfurous
O-
methyl S-1-methoxyhexan-3-yl carbonothioate
FL/FR
waxy
butyl laurate
FL/FR
(Z)-4-
decen-1-ol
FL/FR
heptyl octanoate
FL/FR
propyl decanoate
FL/FR
(E)-2-
tridecenal
FL/FR
winey
2-
hexanol
FL/FR
For Flavor
No flavor group found for these
allyl cyclohexyl butyrate
FL/FR
benzyl octanoate
FL/FR
iso
butyl undecylenate
FL/FR
cocos nucifera water
FL
(S)-gamma-
decalactone
FL/FR
(R)-gamma-
decalactone
FL/FR
(E,E,Z)-2,4,7-
decatrienal
FL
2,4,7-
decatrienal
FL
(E)-2-
decen-1-ol
FL/FR
(Z)-4-
decen-1-ol
FL/FR
4-
decenal
FL/FR
decyl propionate
FL/FR
(S)-gamma-
dodecalactone
FL/FR
11-
dodecenoic acid
FL
dodecyl butyrate
FL/FR
2,3-
epoxydecanal
FL
2,3-
epoxyheptanal
FL
ethyl 5-hydroxyoctanoate
FL/FR
2-
hexanol
FL/FR
(Z)-
linalool oxide (pyranoid)
FL/FR
mandarine undecenal
FL/FR
melon heptenal propylene glycol acetal
FL/FR
4-
methyl-2-pentenoic acid
FL
nerolidyl acetate
FL/FR
3,5-
octadien-2-one
FL
octyl heptanoate
FL/FR
oenanthic ether
FL
propyl decanoate
FL/FR
2-
tetradecenal
FL/FR
3,5-
undecadien-2-one
FL
decanal methyl enol ether
FL/FR
10-
undecen-2-one
FL/FR
acidic
acidic
(E)-2-
hexenoic acid
FL
aldehydic
nonanal (aldehyde C-9)
FL/FR
octanal (aldehyde C-8)
FL/FR
2-
tridecenal
FL/FR
citrus
2-
methyl decanal (aldehyde C-11 MOA)
FL/FR
creamy
delta-
undecalactone
FL/FR
fatty
coconut absolute
FL/FR
2,4-
decadien-1-ol
FL/FR
2,4-
decadienal
FL
(E,E)-2,4-
dodecadienal
FL
ethyl undecylenate
FL/FR
(E)-2-
octen-1-ol
FL/FR
2-
pentyl thiophene
FL
2,4-
undecadienal
FL
floral
citronellal
FL/FR
citronellol
FL/FR
citronellyl propionate
FL/FR
geraniol
FL/FR
pseudo
ionone
FL
fruity
allyl decanoate
FL/FR
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
methyl (E)-3-nonenoate
FL
methyl 3-nonenoate
FL/FR
iso
valeraldehyde
FL/FR
green
(E,E)-2,4-
hexadienal
FL
3-(5-
methyl-2-furyl) butanal
FL
octanal diethyl acetal
FL/FR
herbal
green hexanal
FL/FR
meaty
12-
methyl tridecanal
FL
milky
gamma-
butyrolactone
FL/FR
roasted
O-
methyl S-1-methoxyhexan-3-yl carbonothioate
FL/FR
soapy
decanoic acid
FL/FR
spicy
perillaldehyde
FL/FR
waxy
butyl laurate
FL/FR
2-
decen-1-ol
FL/FR
heptyl octanoate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
methyl 10-undecenoate
FL/FR
(E)-2-
nonen-1-yl acetate
FL/FR
(E)-2-
tetradecenal
FL/FR
(E)-2-
tridecenal
FL/FR
(E)-2-
undecenal
FL/FR
 
Potential Uses:
FLcitrus
 
Occurrence (nature, food, other):note
 oats
Search Trop Picture
 tea black tea
Search Trop Picture
 
Synonyms:
3-pentyl oxirane-2-carboxaldehyde
3-pentyloxirane-2-carbaldehyde
3-pentyloxirane-2-carboxaldehyde
 
 
Notes:
None found
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