2-Ethylhexanol

• CAS: 104-76-7
• Catalog Number: ACM104767
• Category: Alcohols
• Molecular Weight: 130.23
• Molecular Formula: C8H18O
• Description: 2-Ethylhexanol (abbreviated 2-EH) is a branched, eight-carbon chiral alcohol. It is a Colorless liquid that is poorly soluble in water but soluble in most organic solvents. It is produced on a massive scale for use in numerous applications such as solvents, flavors, and fragrances and especially as a precursor for production of other chemicals such as Emollients and plasticizers. It is encountered in natural plant fragrances, and the odor has been reported as “heavy, earthy, and slightly floral” for the R enantiomer and “a light, sweet floral fragrance” for the S enantiomer.
• Synonyms: 2-Aethylhexanol
• IUPAC Name: 2-Ethylhexan-1-ol
• Canonical SMILES: CCCCC(CC)CO
• InChI: InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
• InChI Key: YIWUKEYIRIRTPP-UHFFFAOYSA-N
• Boiling Point: 183-186 °C
• Melting Point: -76 °C
• Flash Point: 171 °F
• Density: 0.833 g/mL at 25 °C(lit.)
• Solubility: less than 1 mg/mL at 64° F (NTP, 1992);0.01 M;In water, 880 mg/L at 25 °C;Miscible with most organic solvents;Soluble in about 720 parts water, in many organic solvents;Solubility in water, g/100ml at 20 °C: 0.11 (poor)
• Appearance: Colorless liquid
• Assay: 0.997
• Autoignition Temperature: 581 °F (USCG, 1999);448 °F (231 °C);270 °C
• Color/Form: Colorless liquid
• Complexity: 52.5
• Covalently-Bonded Unit Count: 1
• Decomposition: When heated to decomp it emits acrid smoke and fumes.
• EC Number: 203-234-3;213-969-1;295-250-2
• Exact Mass: 130.135765193
• Formal Charge: 0
• Hazard Codes: Xn
• Hazard Statements: Xn,Xi
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heat of Vaporization: 10.8 kcal/mol at boiling point
• Heavy Atom Count: 9
• HS Code: 2905199090
• ICSC Number: 0890
• LogP: 2.19510
• MDL Number: MFCD00004746
• Monoisotopic Mass: 130.135765193
• NSC Number: 9300
• Odor: Mild, oily, sweet, slightly floral odor reminiscent of rose;Intense and unpleasant
• Other Experimental: Freezing point: -76 °C;Bulk density: 6.9 lb/gal at 20 °C;% IN SATURATED AIR: 0.0066 @ 20 °C; DENSITY OF "SATURATED" AIR: LESS THAN 1.001 (AIR= 1);1 mg/L approx = 187.8 ppm & 1 ppm approx = 5.32 mg/cu m at5 °C, 760 mm Hg;Dielectric constant = 7.7 at 20 °C;Standard heat of formation = -103.46 kcal/mol at 25 °C;Heat capacity = 73.45 cal/deg K-mol at 25 °C;Henry's Law constant = 2.65X10-5 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 1.32X10-11 cu cm/molec-sec at 25 °C (est)
• Packaging: 1 ton
• Physical State: Liquid
• PSA: 2.23
• Refractive Index: n20/D 1.431(lit.)
• RIDADR: UN 1987C 3 / PGIII
• Rotatable Bond Count: 5
• RTECS Number: MP0350000
• Safety Description: 26-36/39-36/37/39-36-61
• Stability: Stable. Combustible. Incompatible with strong oxidizing agents, strong acids.
• Storage Conditions: Below +30 °C
• Supplemental Hazard Statements: H315-H319-H332-H335-H402-H412-H227-H312-H336-H361-H401
• Symbol: GHS08,GHS07
• Topological Polar Surface Area: 20.2 Ų
• UN Number: 1986
• Vapor Density: 4.49
• Vapor Pressure: 0.2 mm Hg ( 20 °C)
• Viscosity: 9.8 centapoise at 20 °C;12,0 mm2/s at 20 °C
• WGK Germany: 2
• XLogP3: 3.1

Custom Q&A

What is the molecular formula of 2-Ethylhexanol?

The molecular formula of 2-Ethylhexanol is C8H18O.

What is the molecular weight of 2-Ethylhexanol?

The molecular weight of 2-Ethylhexanol is 130.23 g/mol.

What is the IUPAC name of 2-Ethylhexanol?

The IUPAC name of 2-Ethylhexanol is 2-ethylhexan-1-ol.

Is 2-Ethylhexanol soluble in water?

No, 2-Ethylhexanol is insoluble in water.

What is the flash point range of 2-Ethylhexanol?

The flash point of 2-Ethylhexanol is between 140 - 175 °F.

Can contact with 2-Ethylhexanol irritate the skin?

Yes, contact with 2-Ethylhexanol can irritate the skin.

How can 2-Ethylhexanol be toxic?

2-Ethylhexanol can be toxic by ingestion, inhalation, and skin absorption.

Is 2-Ethylhexanol a natural product?

Yes, 2-Ethylhexanol is a natural product found in Vitis rotundifolia, Lonicera japonica, and other organisms.

What is the CAS number of 2-Ethylhexanol?

The CAS number of 2-Ethylhexanol is 104-76-7.

What is the UN Number of 2-Ethylhexanol?

The UN Number of 2-Ethylhexanol is 1986.