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2-Ethylhexanol

2-Ethylhexanol structure

CAS No:
104-76-7
Formula:
C8H18O
Chemical Name:
2-Ethylhexanol
Synonyms:
1-Hexanol,2-ethyl-;2-Ethyl-1-hexanol;2-Ethylhexanol;2-Ethylhexyl alcohol;Ethylhexanol;(±)-2-Ethyl-1-hexanol;2-Ethyl-1-hexyl alcohol;NSC 9300;Conol 10WS;G 301;Guerbet C8;111675-57-1;2360922-23-0
Categories:
Cosmetic Ingredient > Perfuming

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Description

A dark brown liquid with an aromatic odor.

2-Ethylhexanol Basic Attributes

Molecular Weight：

130.23

Exact Mass：

130.23

BRN：

1719280

EC Number：

203-234-3

HScode：

29339990

Characteristics

PSA：

20.2

XLogP3：

3.1

Appearance：

Clear Liquid

Density：

0.8344 g/cm³ @ Temp: 20 °C

Melting Point：

-76 °C

Boiling Point：

184.34 °C

Flash Point：

171 °F

Refractive Index：

1.426

Water Solubility：

H2O: 1 g/L (20 ºC)

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.2 mm Hg ( 20 °C)

Vapor Density：

4.49 (vs air)

Toxicity：

Oral-Rat LD50: 3730 mg/kg; Oral-Mouse LD50: 2500 mg/kg

Flammability characteristics：

Combustible in case of open flame, high temperature and strong oxidant; burning emits irritating smoke

Explosive limit：

0.88%, 104°F

Safety Information

Packing level：

I; II; III

Transport codes：

1986

wgk germany：

hazard class code：

37/38-41-36-21-52/53-36/37/38-20

safety instructions：

26-36/39-36/37/39-36-61

RTECS Number：

MP0350000

Marks：

Xn,Xi

Storage features：

Completely packed, lightly placed; storeroom ventilated, away from open flames, high temperature, and stored separately from oxidants

Explosive characteristics：

Explosive when mixed with air

Stability/Shelf Life：

Stable. Combustible. Incompatible with strong oxidizing agents, strong acids.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H332-H335

Toxicity

Toxicity class：

moderately

2-Ethylhexanol Use and Manufacturing

Methods of Manufacturing

Condensation of acetaldehyde to butanal, dehydration to obtain crotonaldehyde, hydrogenation to obtain n-butyraldehyde, condensation and dehydration to obtain 2-ethyl-2-hexenal, and then hydrogenation.

Uses

GB2760-1996 allows the use of edible spices. Used in the production of plasticizers, defoamers, dispersants, mineral processing agents and petroleum additives, also used in printing and dyeing, paints, films, etc.; used in the production of plasticizers, defoamers, dispersants, mineral processing agents and petroleum additives It is also used in printing and dyeing, paint, film, etc.; 2-ethylhexanol is customarily called octanol in the plasticizer neighborhood, and it is an important chemical raw material. In addition to the production of plasticizers, octanol is also used to produce octyl acrylate or used as a surfactant. It can be mainly used to produce: dioctyl phthalate (DOP), dioctyl oxalate (DOA), Trioctyl trimellitate (TOTM), other plasticizers, octyl acrylate, surfactants, bone oil additives, mining, diesel fuel additives, solvents and dispensing, rust inhibitor esters, and other chemicals. Octanol itself is a useful solvent, defoaming agent, dispersant, lubricant, and its series of products are mainly plasticizers such as dioctyl phthalate and octyl acrylate. Dioctyl phthalate produced from octanol is the main plasticizer of PVC, and its consumption for PVC accounts for about 95% of its total consumption.

Computed Properties

Molecular Weight:130.23
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:130.135765193
Monoisotopic Mass:130.135765193
Topological Polar Surface Area:20.2
Heavy Atom Count:9
Complexity:52.5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Propylene

Hydroquinone

Butanal

Glycerol

1-Hexene

1-Butanol

Downstream Products

2-Ethylhexyl acrylate

2-Ethylhexylamine

Dioctyl phthalate

Isooctanoic acid

Dioctyl terephthalate

Methanol

1-Butanol

Isobutanol

Price Analysis

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CAS No.: 104-76-7

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CAS No.: 104-76-7

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Guide of 2-Ethylhexanol

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Use and Manufacturing
Computed Properties
Material
Downstream Products
Price Analysis
Recommended Suppliers
Learn More Other Chemicals

2-Ethylhexanol

SDS

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