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123-05-7

123-05-7 Structure

123-05-7 Structure
IdentificationMore
[Name]

2-ETHYLHEXANAL
[CAS]

123-05-7
[Synonyms]

2-ETHYLCAPRONALDEHYDE
2-ETHYLHEXALDEHYDE
2-ETHYLHEXANAL
2-ETHYLHEXANALDEHYDE
2-ETHYLHEXYL ALDEHYDE
A-ETHYLCAPROALDEHYDE
ALPHA-ETHYLCAPROALDEHYDE
BUTYLETHYLACETALDEHYDE
ETHYLHEXANAL, 2-
OCTYL ALDEHYDE
2-ethvlhexaldehvde
2-Ethylcaproaldehyde
2-Ethylhexan-1-al
2-ethyl-hexana
3-Formylheptane
alpha-Ethylhexanal
beta-propyl-alpha-ethylacrolein
Ethylbutylacetaldehyde
Ethylhexaldehyde
ethylhexaldehydes
[EINECS(EC#)]

204-596-5
[Molecular Formula]

C8H16O
[MDL Number]

MFCD00006987
[Molecular Weight]

128.21
[MOL File]

123-05-7.mol
Chemical PropertiesBack Directory
[Appearance]

Ethyl hexaldehyde is a colorless liquid with a mild, pleasant odor.
[Melting point ]

-76 °C
[Boiling point ]

55 °C13.5 mm Hg(lit.)
[density ]

0.822 g/mL at 25 °C(lit.)
[vapor pressure ]

2-2.8hPa at 18.5-23.4℃
[refractive index ]

n20/D 1.415(lit.)
[Fp ]

108 °F
[storage temp. ]

Flammables area
[solubility ]

0.01g/l
[form ]

Liquid
[color ]

Clear colorless
[explosive limit]

1.0-6.6%(V)
[Water Solubility ]

Slightly soluble in water.
[Sensitive ]

Air Sensitive
[BRN ]

1700556
[Henry's Law Constant]

1.2×10-2 mol/(m3Pa) at 25℃, Brockbank (2013)
[Stability:]

Air Sensitive
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C8H16O/c1-3-5-6-8(4-2)7-9/h7-8H,3-6H2,1-2H3
[InChIKey]

LGYNIFWIKSEESD-UHFFFAOYSA-N
[SMILES]

[H]C(=O)C(CC)CCCC
[LogP]

3.07 at 25℃
[Surface tension]

47.1mN/m at 730mg/L and 20.2℃
[Uses]

Organic synthesis, perfumes.
[CAS DataBase Reference]

123-05-7(CAS DataBase Reference)
[EPA Substance Registry System]

2-Ethylhexanal (123-05-7)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS02,GHS07,GHS08
[Signal word ]

Warning
[Hazard statements ]

H226-H317-H361
[Precautionary statements ]

P201-P210-P280-P302+P352-P308+P313
[Hazard Codes ]

Xi
[Risk Statements ]

R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 1191 3/PG 3
[WGK Germany ]

1
[RTECS ]

MN7525000
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29121990
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 3
Repr. 2
Skin Sens. 1
[Safety Profile]

Moderately toxic by ingestion and intraperitoneal routes. Mildly toxic by inhalation and skin contact. An eye and severe skin irritant. See also ALDEHYDES. Dangerous fire hazard; spontaneously flammable in air. To fight fire, use foam, CO2, dry chemical, water spray, mist, fog. Incompatible with oxidizing materials. When heated to decomposition it emits acrid and irritating fumes.
[Hazardous Substances Data]

123-05-7(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-Ethyl-2-hexenal-->2-Ethylhexanol-->Piperidine, 1-(1E)-1-hexen-1-yl-2,2,6-trimethyl--->1-Hexen-1-amine, N-(1,1-dimethylethyl)-N-(1-methylethyl)-, (1E)--->2-Butylidene-1-cyclohexanone-->2-Ethylhexyl nitrate-->Di(2-ethylhexyl) ether-->2-butylcyclohexanone-->2-ethylhex-2-enol-->2-ethylhexyl 2-ethylhexanoate
[Preparation Products]

2-Ethylhexanoic acid-->3-Heptanone-->3-Heptanol-->N,N-Dimethyl-2-ethylhexylamine
Hazard InformationBack Directory
[General Description]

White liquid with a mild odor. Floats on water.
[Reactivity Profile]

ETHYLHEXALDEHYDES(123-05-7) are aldehydes. Aldehydes are frequently involved in self-condensation or polymerization reactions. These reactions are exothermic; they are often catalyzed by acid. Aldehydes are readily oxidized to give carboxylic acids. Flammable and/or toxic gases are generated by the combination of aldehydes with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Aldehydes can react with air to give first peroxo acids, and ultimately carboxylic acids. These autoxidation reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by the products of the reaction). The addition of stabilizers (antioxidants) to shipments of aldehydes retards autoxidation.
[Air & Water Reactions]

Spontaneously flammable in air. [Steele and Dugan, Chem. Eng. 66:160(1960)]. Insoluble in water.
[Hazard]

Ignites in air.
[Health Hazard]

Inhalation may be irritating to mucous membrane; overexposure may cause dizziness and collapse. Ingestion causes irritation of mouth and stomach. Contact with eyes or skin causes irritation.
[Potential Exposure]

It is used as a solvent extraction chemical; in organic synthesis; perfume formulation, disinfectant
[Fire Hazard]

HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.
[First aid]

If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit. Medical observation is recommended for 24 to 48 hours after breathing overexposure, as pulmonary edema may be delayed
[Shipping]

UN1191 Octyl aldehydes, Hazard Class: 3; Labels: 3-Flammable liquid
[Incompatibilities]

May form explosive mixture with air. Violent reaction with oxidizers. Incompatible with strong acids; caustics, ammonia, amines. May ignite spontaneously when spilled on clothing or other absorbent materials. May form unstable peroxides on contact with air; under certain conditions ignites spontaneously with air.
[Description]

Ethyl hexaldehyde is a colorless liquid with amild, pleasant odor. Molecular weight = 128.24; Boilingpoint = 163℃; Flash point = 44.4℃; Autoignitiontemperature = 190℃. Explosive limits: LEL = 0.85% at93℃; UEL = 7.2% at 135℃. Hazard Identification (basedon NFPA-704 M Rating System): Health 2, Flammability 2,Reactivity 1. Slightly soluble in water.
[Chemical Properties]

clear liquid
[Chemical Properties]

Ethyl hexaldehyde is a colorless liquid with a mild, pleasant odor.
[Waste Disposal]

Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.
[Definition]

ChEBI: A fatty aldehyde that is heptane in which one of the hydrogens at position 3 has been replaced by a formyl group. It is a metabolite of the plasticisers di-2-ethylhexyl phthalate (DEHP) and di-2-ethylhexyl adipate (DEHA).
[Synthesis Reference(s)]

Journal of the American Chemical Society, 77, p. 359, 1955 DOI: 10.1021/ja01607a036
Synthesis, p. 767, 1976 DOI: 10.1055/s-1976-24198
[storage]

Color Code—Red: Flammability Hazard: Store ina flammable liquid storage area or approved cabinet awayfrom ignition sources and corrosive and reactive materials.Prior to working with ethyl hexaldehyde you should betrained on its proper handling and storage. Before enteringconfined space where this chemical may be present, checkto make sure that an explosive concentration does not exist.Store in tightly closed containers in a cool, well-ventilatedarea away from oxidizers, strong bases, and combustiblematerials. Metal containers involving the transfer of thischemical should be grounded and bonded. Where possible,automatically pump liquid from drums or other storage containers to process containers. Drums must be equipped withself-closing valves, pressure vacuum bungs, and flamearresters. Use only nonsparking tools and equipment, especially when opening and closing containers of this chemical. Sources of ignition, such as smoking and open flames,are prohibited where this chemical is used, handled, orstored in a manner that could create a potential fire orexplosion hazard. Wherever this chemical is used, handled,manufactured, or stored, use explosion-proof electricalequipment and fittings
[Toxics Screening Level]

The initial threshold screening level (ITSL) for 2-ethylhexanal is 10 μg/m3 (annual averaging time).
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-ethyl hexanal(123-05-7).msds
Spectrum DetailBack Directory
[Spectrum Detail]

2-ETHYLHEXANAL(123-05-7)MS
2-ETHYLHEXANAL(123-05-7)1HNMR
2-ETHYLHEXANAL(123-05-7)IR1
2-ETHYLHEXANAL(123-05-7)IR2
2-ETHYLHEXANAL(123-05-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Ethylhexanal, pract., 99%(123-05-7)
[Alfa Aesar]

2-Ethylhexanal, 97%(123-05-7)
[Sigma Aldrich]

123-05-7(sigmaaldrich)
[TCI AMERICA]

2-Ethylhexanal,>95.0%(GC)(123-05-7)
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