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

2-ethyl hexanoic acid

Supplier Sponsors

CAS Number: 149-57-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:205-743-6
FDA UNII: 01MU2J7VVZ
Nikkaji Web:J36.965I
Beilstein Number:1750468
MDL:MFCD00002675
XlogP3:2.60 (est)
Molecular Weight:144.21392000
Formula:C8 H16 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge 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
DG SANTE Food Flavourings:08.078 2-ethylhexanoic acid
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.89300 to 0.91300 @ 25.00 °C.
Pounds per Gallon - (est).: 7.431 to 7.597
Refractive Index:1.42000 to 1.42600 @ 20.00 °C.
Melting Point: -59.00 °C. @ 760.00 mm Hg
Boiling Point: 220.00 to 223.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.030000 mmHg @ 20.00 °C.
Vapor Density:4.98 ( Air = 1 )
Flash Point: 244.00 °F. TCC ( 117.78 °C. )
logP (o/w): 2.640
Soluble in:
 alcohol
 water, 2000 mg/L @ 20 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: not used anymore
 
Suppliers:
BASF
2-Ethylhexanoic acid
Beijing Lys Chemicals
2-Ethylhexanoic acid
BOC Sciences
For experimental / research use only.
2-Ethylhexanoic Acid 99%
Eastman Chemical
2-Ethylhexanoic Acid
Odor: characteristic
Use: Eastman™ 2-Ethylhexanoic Acid is a colorless, high boiling liquid having a mild odor. The metallic salts of Eastman™ 2-ethylhexanoic acid are used as driers for odorless paints, inks, varnishes, and enamels. Cobalt and manganese are the most important driers.
EMD Millipore
For experimental / research use only.
2-Ethylhexanoic Acid
Inoue Perfumery
2-ETHYL HEXANOIC ACID
Mosselman
2-Ethylhexanoic Acid
Penta International
2-ETHYL HEXANOIC ACID
Santa Cruz Biotechnology
For experimental / research use only.
2-Ethylhexanoic Acid
Sigma-Aldrich
2-Ethylhexanoic acid, ≥99%
Certified Food Grade Products
TCI AMERICA
For experimental / research use only.
2-Ethylhexanoic Acid >99.0%(GC)
WholeChem
2-Ethylhexanoic Acid
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 63 - Possible risk of harm to the unborn child.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 23 - Do not breath vapour.
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 1600 - 3000 mg/kg
(Eastman Kodak Co., 1955a; Smyth & Carpenter, 1944; Eastman Kodak Co., 1987f).

oral-rat LD50 3000 mg/kg
(RTECS, 1991).

oral-rat LD50 3276 mg/kg
(IUCLID Dataset, 2000f).

oral-rat LD50 2043 mg/kg
(Eastman Kodak Co., 1987a).

oral-rat LD50 3000 mg/kg
(Smyth & Carpenter, 1944).

oral-rat LD50 3000 mg/kg
Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944.

Dermal Toxicity:
skin-rabbit LD50 1260 ul/kg
Union Carbide Data Sheet. Vol. 11/4/1971

skin-guinea pig LD50 6300 ul/kg
Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944.

Inhalation Toxicity:
inhalation-rat LC > 400 ppm/6H
Kodak Company Reports. Vol. 21MAY1971

 
Safety in Use Information:
Category:
flavoring agents
Recommendation for 2-ethyl hexanoic acid usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.24 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3100 (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): 10.0000050.00000
Chewing gum (05.3): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
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): 5.0000025.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 3.0000015.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 15.0000075.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
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
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):149-57-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8697
National Institute of Allergy and Infectious Diseases:Data
SCCNFP:opinion
WGK Germany:1
2-ethylhexanoic acid
Chemidplus:0000149575
EPA/NOAA CAMEO:hazardous materials
RTECS:149-57-5
 
References:
Leffingwell:Chirality or Article
 2-ethylhexanoic acid
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:149-57-5
Pubchem (cid):8697
Pubchem (sid):134975590
Pherobase:View
 
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
CHEMBL:View
Golm Metabolome Database:Search
HMDB (The Human Metabolome Database):HMDB31230
FooDB:FDB003254
Export Tariff Code:2915.90.5050
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 beer
Search PMC Picture
 cheese bleu chesse - trace
Search PMC Picture
 grape
Search Trop Picture
 lamb raw lamb - up to 1.29 mg/kg
Search PMC Picture
 mango fruit
Search Trop Picture
 papaya fruit
Search Trop Picture
 raspberry red raspberry fruit
Search Trop Picture
 rice
Search Trop Picture
 tea
Search Trop Picture
 wine
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Synonyms:
2-butyl butanoic acid
 butyl ethyl acetic acid
2-butylbutanoic acid
 butylethylacetic acid
2-ethyl caproic acid
alpha-ethyl caproic acid
2-ethyl hexoic acid
2-ethyl-hexanoic acid
2-ethyl-hexoic acid
2-ethylcaproic acid
a-ethylcaproic acid
alpha-ethylcaproic acid
2-ethylcapronic acid
2-ethylhexanoic acid
a-ethylhexanoic acid
2-ethylhexanoicacid
2-ethylhexoic acid
3-heptane carboxylic acid
3-heptanecarboxylic acid
 hexanoic acid, 2-ethyl-
 sinesto B
 
 
Notes:
Wood preservative; 2-ethylhexanoic acid is active ingredient in Sinesto B. wood preservative; 2-ethylhexanoic acid is active ingredient in sinesto b. Found in grapes
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