CompoundList
Isoprene chemical structure, C5H8, CAS 78-79-5
2D chemical structure

Key facts

What buyers check first

Appearance
Colorless volatile liquid
Melting point
-145.9 °C
Boiling point
34.1 °C
Density
0.679 g/cm³ at 20 °C
Flash point
-54 °C
HS code
290124
Category
Olefins and dienes
UN number
UN 1218
Illustrative photo, 25 litre white jerry cans of liquid in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Isoprene?

Plain description, key identifiers and synonyms

Isoprene is a hemiterpene with the formula CH2=C(CH3)CH=CH2, the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds. It has a role as a plant metabolite. It is a volatile organic compound, an alkadiene and a hemiterpene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-methylbuta-1,3-diene
CAS number
78-79-5 CAS number cross-checkedOther or deprecated CAS: 104389-32-4, 26796-44-1, 9006-04-6, 9041-65-0
EC numbers
201-143-3, 232-689-0, 618-550-0
Molecular formula
C5H8
UNII
0A62964IBU
MDL number
MFCD00008600
INCI name
RUBBER LATEX
InChIKey
RRHGJUQNOFWUDK-UHFFFAOYSA-N
InChI
InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3
SMILES (canonical and isomeric)
CC(=C)C=C

Synonyms

  • 2-Methyl-1,3-butadiene
  • 2-Methylbuta-1,3-diene
  • Isopentadiene
  • 2-Methylbutadiene
  • 2-Methyldivinyl
  • 1,3-Butadiene, 2-methyl-
  • beta-Methylbivinyl
  • 3-Methyl-1,3-butadiene
  • Methyl bivinyl
  • Natural rubber
  • isopreno
  • isoterpene
  • Isopren
  • Rubber, natural
  • CH2=C(CH3)CH=CH2
  • Isoprene (Stabilized with TBC)
  • Rubber latex, rubberfume
  • Caoutchouc
  • Elastomers
  • Ebonite
  • Heveaplus
  • Impervia
  • Rubber
  • Latex particles
  • Nafka
Show all 37 synonyms
  • Natural latex
  • India rubber
  • Nafka kristalgom
  • Dynatex LA
  • Dynatex GTZ
  • Thiokol NVT
  • Trans polyisoprene
  • LATZ latex
  • 2-methyl-butadiene
  • Isoprene, inhibited
  • Harub 5LV
  • 2-methyl-1

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

Appearance
Colorless volatile liquidexp.
Odour
Petroleum-lkeexp.
Taste
Tastelessexp.
Melting point
-145.9 °Cexp.
Boiling point
34.1 °Cexp.
Density
0.679 g/cm³ at 20 °Cexp.
Flash point
-54 °Cexp.
Autoignition temperature
395 °Cexp.
Solubility
In water, 642 mg/L at 25 °Cexp.
Vapour pressure
VP: 400 mm Hg at 15.4 °Cexp.

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
68.12 g/molcalc.
Exact mass
68.0626 Dacalc.
LogP (octanol/water)
1.75calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
1calc.
Heavy atoms
5calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.2calc.
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
Danger
GHS02: Flammable
Flammable
GHS08: Serious health hazard
Serious health hazard
412WNFPA 704 rating

Hazard statements

  • H224Extremely flammable liquid and vapour.
  • H341Suspected of causing genetic defects.
  • H350May cause cancer.
  • H412Harmful to aquatic life with long lasting effects.
Precautionary statements (15)
  • P203Obtain, read and follow all safety instructions before use.
  • 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.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P303 + P361 + P353If on skin (or hair): Take off immediately all contaminated clothing. Rinse skin with water or shower.
  • P318If exposed or concerned, get medical advice.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • P403 + P235Store in a well-ventilated place. Keep cool.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.
UN number
UN 1218
Transport hazard class
3
Packing group
I

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

Isoprene suppliers

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

All 90 suppliers
30 of 30 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.

Send one request to many suppliers

Choose up to 10 suppliers or let us match your request. Compare quotes side by side, free.

Isoprene 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.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Almost all isoprene produced is used for the preparation of polymers or copolymers. cis-Polyisoprene is the largest application with SIS block polymers a secondary application, and butyl rubber is a significant third application.

Smaller amounts are used as an intermediate into specialty chemicals, including vitamins, pharmaceuticals, flavorings, and perfumes, and epoxy hardeners.

Most of the isoprene that is produced is utilized for the synthesis of poly(cis-1,4-isoprene) (isoprene rubber, IR), a material (particularly the titanium type) that closely resembles natural rubber in both structure and properties. This IR is largely used for the production of vehicle tires. ... The second largest market for isoprene is the manufacture of styrene - isoprene - styrene (SIS) block copolymers ...

Read more

These products are especially useful as thermoplastic rubbers and as pressure-sensitive or thermosetting adhesives. ... Smaller amounts of isoprene are used in the production of butyl rubber (isobutene - isoprene rubber, IIR), a copolymerizate with isobutene.

Manufacture of "synthetic" natural rubber, butyl rubber. Copolymer in the production of synthetic elastomers.

Some of the many uses in which rubbers are employed include pneumatic tires and inner tubes, tubing and hose, rubber footware, inflatable and sectional seals, elastic thread and tape, rubber/metal bonded products, inflatable life-rafts and dinghies, chemically resistant tank linings, conveyor belting, foam cushioning for upholstery and bedding, floor coverings, proofed material for clothing, adhesives and solutions, washers, gaskets, diaphrams, floating bulk liquid containers and hose, tennis, squash and golf balls.

Cosmetic ingredient, INCI name RUBBER LATEX(film forming, opacifying)

Roles

  • eukaryotic metabolite
  • metabolite
  • plant metabolite

Functional uses

  • Filler
  • Film former
  • Flavouring and nutrient
  • Opacifer

Cosmetic functions

  • Film forming
  • Opacifying

Pharmacology

Isoprene is an unsaturated pentahydrocarbon, Isoprene is found in certain plants or obtained by distillation of caoutchouc or gutta-percha. In plants, it is elementary in the formation of isoprenoids, fat-soluble vitamins, carotenoids and related pigments. Isoprenes contribute to flavors and fragrances of essential oils and other plant-derived substances. (NCI04)

How it is made

The principal route for production of isoprene monomer outside of Russia is recovery from ethylene by-product streams. This route is most viable where ethylene is produced from naphtha or gas oil and where several ethylene plants are located in relatively close proximity to the isoprene plant. Although the yield of isoprene per mass of ethylene is quite low, there is enough ethylene produced to provide a large portion of demand. Because of the presence of n-pentane in these streams which azeotropes with isoprene, extractive distillation must be used to recover pure isoprene.

Read more

Acetonitrile is the most common solvent, but dimethylformamide is also used commercially.

The synthesis of isoprene from propylene is a three-step process. The propylene is dimerized to 2-methyl-1-pentene, which is then isomerized to 2-methyl-2-pentene in the vapor phase over silica alumina catalyst. The last step is the pyrolysis of 2-methyl-2-pentene in a cracking furnace in the presence of ((NH4)2-S). Isoprene is recovered from the resulting mixture by conventional distillation.

The starting material here is a fraction which is cut from catalytic cracking of petroleum. Two of the tertiary amylene isomers, 2-methyl-1-butene and 2-methyl-2-butene, are recovered in high purity by formation of methyl tertiary butyl ether and cracking of this to produce primarily 2-methyl-2-butene. The amylenes are mixed with steam and dehydrogenated over a catalyst.

Regulatory status

Inventories, regulations and trade controls that list this substance

Europe

  • EU harmonised classification (CLP Annex VI)
    Index no: 601-014-00-5

Health and food

  • EU cosmetic ingredient inventory
  • EU Cosmetics Regulation Annex II, prohibited in cosmetics
    Name: Isoprene (stabilized), (2-Methyl-1,3-butadiene), Ref no: 1138, Annex ref: II/1138

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2901.24Exact HS code

Buta-1,3-diene and isoprene

World exports in 2024
$2.47B
+46.1% vs 2023, imports $2.39B
2019 to 2024
Top exporters
  1. South Korea17.0%
  2. Netherlands10.5%
  3. Germany9.1%
Top importers
  1. China25.4%
  2. South Korea20.8%
  3. Malaysia8.4%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Isoprene is indicative (it was matched by name in the HS nomenclature). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Isoprene?

Isoprene is a hemiterpene with the formula CH2=C(CH3)CH=CH2, the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds. It has a role as a plant metabolite. It is a volatile organic compound, an alkadiene and a hemiterpene.

What is the CAS number of Isoprene?

The CAS registry number of Isoprene is 78-79-5. Other or deprecated CAS numbers: 104389-32-4, 26796-44-1, 9006-04-6.

What is the molecular formula and weight of Isoprene?

The molecular formula of Isoprene is C5H8 and its molar mass is 68.12 g/mol.

What is Isoprene used for?

Almost all isoprene produced is used for the preparation of polymers or copolymers. cis-Polyisoprene is the largest application with SIS block polymers a secondary application, and butyl rubber is a significant third application.

Is Isoprene hazardous?

Isoprene carries the GHS signal word "Danger". Main hazards: extremely flammable liquid and vapour, suspected of causing genetic defects, may cause cancer. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Isoprene?

Isoprene is usually classified under HS code 290124 (Buta-1,3-diene and isoprene). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isoprene?

CompoundList lists 90 suppliers of Isoprene in United States, China, Germany, India and 15 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Isoprene in India?

4 suppliers in India list Isoprene on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Isoprene?

Suppliers quote Isoprene 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 Isoprene

Get quotes for Isoprene

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Isoprene with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/isoprene-78-79-5" title="Isoprene structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Olefins and dienes or HS code 290124

90 suppliers
Free quotes, contact stays private
Get quotes