2-ethyl hexanal
a-ethylcaproaldehyde
 
Notes:
None found
  • Penta International
    • Penta International Corporation
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      Product(s):
      05-35700 2-ETHYL HEXALDEHYDE
       
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      Product(s):
      E0125 2-Ethylhexanal >95.0%(GC)
       
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CAS Number: 123-05-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 204-596-5
FDA UNII: SEN8S34O6U
Nikkaji Web: J24.149K
Beilstein Number: 1700556
MDL: MFCD00006987
CoE Number: 10331
XlogP3-AA: 2.60 (est)
Molecular Weight: 128.21472000
Formula: C8 H16 O
NMR Predictor: Predict (works with chrome or firefox)
Also(can) Contains: 2-ethyl hexanoic acid 0.10% to 4.00%
Category: flavor and fragrance 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
DG SANTE Food Flavourings: 05.147  2-ethylhexanal
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.81800 to 0.82400 @  25.00 °C.
Pounds per Gallon - (est).: 6.807 to  6.857
Refractive Index: 1.41400 to 1.42000 @  20.00 °C.
Boiling Point: 163.00 °C. @ 760.00 mm Hg
Boiling Point: 55.00 °C. @ 13.50 mm Hg
Vapor Pressure: 1.800000 mmHg @ 20.00 °C.
Flash Point: 111.00 °F. TCC ( 43.89 °C. )
logP (o/w): 2.796 (est)
Soluble in:
 alcohol
 water, 455.6 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
Eastman Chemical
2-Ethylhexaldehyde
EMD Millipore
For experimental / research use only.
2-Ethylhexanal
Inoue Perfumery
2-ETHYL HEXANAL
Penta International
2-ETHYL HEXALDEHYDE
Santa Cruz Biotechnology
For experimental / research use only.
2-Ethylhexanal
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Ethylhexanal 96%
TCI AMERICA
For experimental / research use only.
2-Ethylhexanal >95.0%(GC)
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Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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:
oral-rat LD50  2600 mg/kg
National Technical Information Service. Vol. OTS0534445

oral-rat LD50  3078 mg/kg
(NTIS, 1991).

oral-rat LD50  2732 mg/kg
(IUCLID Dataset, 2000f).

oral-rat LD50  3730 mg/kg
(Smyth et al., 1969a; Lington & Bevan, 1994).

intraperitoneal-mouse LD50  1600 mg/kg
BEHAVIORAL: MUSCLE WEAKNESS SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: ATAXIA
National Technical Information Service. Vol. OTS0533623

oral-mouse LD50  3550 mg/kg
"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 103, 1982.

intraperitoneal-rat LD50  500 mg/kg
Hydrometallurgy. Vol. 3, Pg. 201, 1978.

Dermal Toxicity:
skin-guinea pig LD50 > 16000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 319, 1988.

skin-rabbit LD50 4135 mg/kg
National Technical Information Service. Vol. OTS0534445

skin-rat LD50 > 20 mL/kg
SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"
National Technical Information Service. Vol. OTS0533623

Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1600 (μg/person/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0): 3.0000015.00000
Processed fruit (04.1): 2.0000010.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 4.0000020.00000
Chewing gum (05.0): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 2.0000010.00000
Bakery wares (07.0): 5.0000025.00000
Meat and meat products, including poultry and game (08.0): 1.000005.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 1.000005.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 2.0000010.00000
Foodstuffs intended for particular nutritional uses (13.0): 3.0000015.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.0000010.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 4.0000020.00000
Ready-to-eat savouries (15.0): 5.0000025.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 2.0000010.00000
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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):
Flavouring Group Evaluation 04 - 2-Ethylhexyl derivatives from chemical group 2 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf
EPI System: View
NIOSH International Chemical Safety Cards: search
NIOSH Pocket Guide: search
Chemical Carcinogenesis Research Information System: Search
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 123-05-7
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 31241
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 1191
WGK Germany: 1
 2-ethylhexanal
Chemidplus: 0000123057
EPA/NOAA CAMEO: hazardous materials
RTECS: 123-05-7
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References:
 2-ethylhexanal
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 123-05-7
Pubchem (cid): 31241
Pubchem (sid): 134974212
Pherobase: View
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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
CHEBI: View
CHEMBL: View
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2912.19.5000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Formulations/Preparations:
grades: technical
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 ficus benjamina
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 ficus megaleia
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Synonyms:
 butyl ethyl acetaldehyde
 butylethylacetaldehyde
 ethyl butyl acetaldehyde
2-ethyl caproaldehyde
alpha-ethyl caproaldehyde
2-ethyl hexaldehyde
2-ethyl-capronaldehyde
2-ethyl-hexanal
 ethylbutylacetaldehyde
2-ethylcaproaldehyde
a-ethylcaproaldehyde
2-ethylcapronaldehyde
 ethylhexaldehyde
2-ethylhexaldehyde
2-ethylhexanal
2-ethylhexylaldehyde
3-formyl heptane
3-formylheptane
 hexanal, 2-ethyl-
beta-propyl-alpha-ethyl acrolein
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