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Alcohols and polyols

2,2-Dimethylhexan-3-ol

Also known as 2,2-Dimethyl-3-hexanol, Pfhlgqkvkallmd-uhfffaoysa-, 3-Hexanol, 2,2-dimethyl-

CAS 4209-90-9Formula C8H18OMolar mass 130.23 g/molEC 224-135-1
GHS signal word: Warning. Pictograms: Flammable, Harmful or irritant
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2,2-Dimethylhexan-3-ol chemical structure, C8H18O, CAS 4209-90-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4209-90-9
Formula
C8H18O
Molar mass
130.23 g/mol
Physical form
Liquid
HS code
290516
Category
Alcohols and polyols
Illustrative photo, closed blue steel drums of liquid in a chemical plant
Typical packagingIllustrative packaging image, not the actual product

What is 2,2-Dimethylhexan-3-ol?

Plain description, key identifiers and synonyms

2,2-Dimethylhexan-3-ol is a chemical substance with the molecular formula C8H18O and a molar mass of 130.23 g/mol. Its CAS registry number is 4209-90-9.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2,2-dimethylhexan-3-ol
CAS number
4209-90-9 CAS number cross-checked
EC number
224-135-1
Molecular formula
C8H18O
MDL number
MFCD00021929
InChIKey
PFHLGQKVKALLMD-UHFFFAOYSA-N
InChI
InChI=1S/C8H18O/c1-5-6-7(9)8(2,3)4/h7,9H,5-6H2,1-4H3
SMILES (canonical and isomeric)
CCCC(C(C)(C)C)O

Synonyms

  • 2,2-Dimethyl-3-hexanol
  • Pfhlgqkvkallmd-uhfffaoysa-
  • 3-Hexanol, 2,2-dimethyl-
  • n-Propyl-tert-butylcarbinoll
  • 2,2-Dimethylhe
  • 3-Hexanol,2-dimethyl-

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Physical form
Liquidexp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
130.23 g/molcalc.
Exact mass
130.1358 Dacalc.
LogP (octanol/water)
2.19calc.
Topological polar surface area
20.23 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
2calc.
Heavy atoms
9calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS02: Flammable
Flammable
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H226Flammable liquid and vapour.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (25)
  • P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
  • P233Keep container tightly closed.
  • P240Ground and bond container and receiving equipment.
  • P241Use explosion-proof electrical, ventilating and lighting equipment.
  • P242Use non-sparking tools.
  • P243Take action to prevent static discharges.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P303 + P361 + P353If on skin (or hair): Take off immediately all contaminated clothing. Rinse skin with water or shower.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P403 + P235Store in a well-ventilated place. Keep cool.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

2,2-Dimethylhexan-3-ol suppliers

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2,2-Dimethylhexan-3-ol price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code 2,2-Dimethylhexan-3-ol is traded under.

HS 2905.16Indicative HS code

Octanol (octyl alcohol) and isomers thereof

World exports in 2024
$1.18B
+12.7% vs 2023, imports $1.54B
2019 to 2024
Top exporters
  1. United States19.7%
  2. South Korea13.8%
  3. Indonesia12.5%
Top importers
  1. China28.4%
  2. Turkey14.0%
  3. India * partner reported5.6%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for 2,2-Dimethylhexan-3-ol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 2,2-Dimethylhexan-3-ol, based on the data on this page

What is 2,2-Dimethylhexan-3-ol?

2,2-Dimethylhexan-3-ol is a chemical substance with the molecular formula C8H18O and a molar mass of 130.23 g/mol. Its CAS registry number is 4209-90-9.

What is the CAS number of 2,2-Dimethylhexan-3-ol?

The CAS registry number of 2,2-Dimethylhexan-3-ol is 4209-90-9.

What is the molecular formula and weight of 2,2-Dimethylhexan-3-ol?

The molecular formula of 2,2-Dimethylhexan-3-ol is C8H18O and its molar mass is 130.23 g/mol.

What is 2,2-Dimethylhexan-3-ol used for?

Known uses and roles of 2,2-Dimethylhexan-3-ol include building blocks in research and laboratory.

Is 2,2-Dimethylhexan-3-ol hazardous?

2,2-Dimethylhexan-3-ol carries the GHS signal word "Warning". Main hazards: flammable liquid and vapour, causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 2,2-Dimethylhexan-3-ol?

2,2-Dimethylhexan-3-ol is usually classified under HS code 290516 (Octanol (octyl alcohol) and isomers thereof). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 2,2-Dimethylhexan-3-ol?

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What is the price of 2,2-Dimethylhexan-3-ol?

Suppliers quote 2,2-Dimethylhexan-3-ol on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle 2,2-Dimethylhexan-3-ol

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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