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Alcohol and glycol solvents

Isopentyldiol

Also known as 3-methylbutane-1,3-diol, 3-Methyl-1,3-butanediol, 1,3-Butanediol, 3-methyl-

CAS 2568-33-4Formula C5H12O2Molar mass 104.15 g/molEC 459-270-7
GHS signal word: Warning. Pictograms: Harmful or irritant 4 suppliers listed
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Isopentyldiol chemical structure, C5H12O2, CAS 2568-33-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2568-33-4
Formula
C5H12O2
Molar mass
104.15 g/mol
EC number
459-270-7
HS code
290539
Category
Alcohol and glycol solvents

What is Isopentyldiol?

Plain description, key identifiers and synonyms

Isopentyldiol is a chemical substance with the molecular formula C5H12O2 and a molar mass of 104.15 g/mol. Its CAS registry number is 2568-33-4. The IUPAC name is 3-methylbutane-1,3-diol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-methylbutane-1,3-diol
CAS number
2568-33-4 CAS number cross-checked
EC numbers
459-270-7, 607-773-9
Molecular formula
C5H12O2
UNII
19NOL5474Q
MDL number
MFCD00059655
InChIKey
XPFCZYUVICHKDS-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O2/c1-5(2,7)3-4-6/h6-7H,3-4H2,1-2H3
SMILES (canonical and isomeric)
CC(C)(CCO)O

Synonyms

  • 3-methylbutane-1,3-diol
  • 3-Methyl-1,3-butanediol
  • 1,3-Butanediol, 3-methyl-
  • isoprene glycol
  • 3-hydroxy-3-methylbutanol
  • Isopentyl diol
  • 3-methyl-1,3-butandiol
  • Xpfczyuvichkds-uhfffaoysa-
  • 2,4-dihydroxy-2-methylbutane
  • 2-Methyl-2,4-butanediol
  • 2-methyl-butane-2,4-diol
  • 3-methyl-1,3-butane diol
  • 3-methyl-butane-1,3-diol
  • isoprene glyc
  • 3-methylbutan-1,3-diol
  • 3-Methyl-1,3-butantediol
  • 3-Methyl-1,3-butanediol, >=97.0% (GC)

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

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

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
104.15 g/molcalc.
Exact mass
104.0837 Dacalc.
LogP (octanol/water)
0.14calc.
Topological polar surface area
40.46 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
2calc.
Heavy atoms
7calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
0calc.
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
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • 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.
  • 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.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • 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

Isopentyldiol suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 4 suppliers
4 of 4 offers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

4 suppliers in 4 countries

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Isopentyldiol price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Use classes: Cosmetics.

Functional uses

  • Solvent

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Active in US commerce, Regulatory flags: Added by a premanufacture notice, significant new use rule, proposed significant new use rule

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Isopentyldiol is traded under.

HS 2905.39Indicative HS code

Diols, other

World exports in 2024
$1.92B
−3.5% vs 2023, imports $2B
2019 to 2024
Top exporters
  1. China22.3%
  2. United States17.9%
  3. Germany16.1%
Top importers
  1. Germany12.0%
  2. China11.3%
  3. South Korea10.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Isopentyldiol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Isopentyldiol, based on the data on this page

What is Isopentyldiol?

Isopentyldiol is a chemical substance with the molecular formula C5H12O2 and a molar mass of 104.15 g/mol. Its CAS registry number is 2568-33-4. The IUPAC name is 3-methylbutane-1,3-diol.

What is the CAS number of Isopentyldiol?

The CAS registry number of Isopentyldiol is 2568-33-4.

What is the molecular formula and weight of Isopentyldiol?

The molecular formula of Isopentyldiol is C5H12O2 and its molar mass is 104.15 g/mol.

What is Isopentyldiol used for?

Use classes: Cosmetics.

Is Isopentyldiol hazardous?

Isopentyldiol carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Isopentyldiol?

Isopentyldiol is usually classified under HS code 290539 (Diols, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isopentyldiol?

CompoundList lists 4 suppliers of Isopentyldiol in China, Germany, Netherlands and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Isopentyldiol?

Suppliers quote Isopentyldiol 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 Isopentyldiol

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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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