2-Ethylhexanal Tech. Grade

CAT: 0286-E10310Size: 50 gDry Ice: NoHazardous: Yes

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CAT#:0286-E10310Size:50 g

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CAS Number

123-05-7

Synonyms

2-Ethylhexaldehyde; Butylethylacetaldehyde; a-Ethylcaproaldehyde

UN Code

UN1191

Pictogram

02 - Flammable; 07 - Irritant

UDF Signal Word

Danger

MDL Number

MFCD00006987

Hazard Statement

H226 Flammable liquid and vapor; H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.

DOT Name

Octyl Aldehydes

DOT Classification

Class 3

Packaging Group

PGIII

Precautions

P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P403+P235 Store in a well-ventilated place. Keep cool.

Chemical Information

2-Ethylhexanal

2-ethylhexanal is a saturated fatty aldehyde that is heptane in which one of the hydrogens at position 3 has been replaced by a formyl group.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). It has a role as a fungal metabolite and a bacterial xenobiotic metabolite.

CAS Number	123-05-7
PubChem CID	31241
IUPAC Name	2-ethylhexanal
Molecular Formula	C8H16O
Molecular Weight	128.21
XLogP	2.6
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Heavy Atom Count	9
Formal Charge	0
Complexity	69

SMILES

CCCCC(CC)C=O

InChI

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

InChIKey

LGYNIFWIKSEESD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 123-05-7

CID: 31241

Formula: C8H16O

MW: 128.21

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	128.21
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	128.120115130
Monoisotopic Mass	128.120115130
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	69
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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2-Ethylhexanal Tech. Grade

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