1,3-Butadiene | CAS 106-99-0 | C4H6 | Chelora Petrochem
Basic Olefin — Diene / Synthetic Rubber Feedstock

1,3-Butadiene

C₄H₆  ·  CAS 106-99-0  ·  MW 54.09 g/mol

The essential conjugated diene. A colourless, flammable gas with two conjugated C=C double bonds — the irreplaceable feedstock for SBR, PBR, nitrile rubber, ABS, and nylon-6,6 intermediates.

CAS 106-99-0C₄H₆EC 203-450-8UN 1010Verified Supply

Molecular Structure

C C C C H H H H H H Conjugated diene · s-trans conformation
State
Gas (ambient)
Boiling Pt.
−4.4 °C
Purity
≥ 99.3% PG
UN No.
UN 1010

What is 1,3-Butadiene?

1,3-Butadiene is a four-carbon diene with two conjugated C=C double bonds. It is produced mainly as a C₄ by-product of steam cracking and is the foundation of the synthetic rubber industry.

The conjugated diene system gives 1,3-butadiene unique reactivity: 1,2- and 1,4-addition, Diels–Alder cycloaddition, and free-radical or anionic polymerisation to give elastomers with outstanding resilience and abrasion resistance. The 1,4-microstructure of polybutadiene and SBR determines the glass transition temperature and tyre performance.

Chelora sources polymer-grade 1,3-butadiene (≥99.3%) from cracker C₄ fractions with strict control of inhibitor (TBC) levels, vinylacetylene, and moisture. Full documentation and logistics support provided.

Quick Reference

IUPAC NameButa-1,3-diene
CAS Number106-99-0
Molecular FormulaC₄H₆
EC Number203-450-8
Molecular Weight54.09 g/mol
Physical StateGas (ambient)
Boiling Point−4.4 °C
Melting Point−108.9 °C
Density0.621 g/cm³ at bp
Flammable limits2.0 – 11.5% v/v
UN NumberUN 1010
Status✓ Verified Supply

Key Physical & Chemical Properties

54.09
g/mol Mol. Weight
−4.4°C
Boiling Point
−108.9°C
Melting Point
1.34 Å (C=C) / 1.47 Å (C–C)
C=C Bond Length
0.621 g/cm³ at bp
Liquid Density
≈ 120°
Bond Angle (sp²)
2.0 – 11.5% v/v
Flammability Range
Planar
C=C Geometry

Structure & Bonding

1,3-Butadiene's reactivity is defined by its Conjugated C=C–C=C — the site of polymerisation and other industrially important reactions.

C C C C H H H H H H π + σ π + σ σ only C₄H₆ · 54.09 g/mol

Lewis structure — sp² (all 4 C)

Structural Identity

  • IUPAC NameButa-1,3-diene
  • Molecular FormulaC₄H₆
  • Molecular Weight54.09 g/mol
  • Hybridisationsp² (all 4 C)
  • Bond typeConjugated C=C–C=C
  • C=C bond length1.34 Å (C=C) / 1.47 Å (C–C)
  • GeometryPlanar (s-trans conformation)
  • CAS Number106-99-0
  • InChI KeyKAKZBPTYRLMSJV-UHFFFAOYSA-N

Product Specifications

Chelora supplies 1,3-Butadiene in standard and custom grades. Contact us for specification sheets tailored to your process.

Chemical name1,3-Butadiene
CAS Number106-99-0
Molecular formulaC₄H₆
Molecular weight54.09 g/mol
Purity (standard grade)≥ 99.3 mol%
Purity (commercial grade)≥ 98.5 mol%
Physical state (ambient)Gas (ambient)
Boiling point−4.4 °C at 1 atm
Melting point−108.9 °C
Flammable limits2.0 – 11.5% v/v v/v in air
Vinylacetylene (max, PG)≤ 10 ppm vol
1,2-Butadiene (max)≤ 100 ppm vol
TBC inhibitor50–200 ppm wt
Moisture (max)≤ 30 ppm wt
Critical temperature152 °C
Critical pressure43.3 bar
UN NumberUN 1010
IMO / IMDG ClassClass 2.1 (Flammable Gas)

Downstream Applications & Derivatives

Key derivative chains and industrial uses of 1,3-Butadiene.

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Styrene-Butadiene Rubber (SBR)

The world's largest-volume synthetic rubber. SBR (copolymer of butadiene and styrene) is used in passenger and truck tyres, conveyor belts, footwear, and hose.

E-SBRS-SBRLatex

Polybutadiene Rubber (PBR/BR)

High-cis polybutadiene produced with Nd or Co/Ni/Ti catalysts — valued for low rolling resistance and high resilience in tyre sidewalls and golf ball cores.

High-cis BRLow-cis BR
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Nitrile Rubber (NBR)

Copolymerisation of butadiene with acrylonitrile gives NBR — the standard elastomer for oil-resistant seals, O-rings, hoses, and fuel system components.

NBRHNBRLatex
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ABS & SAN Resins

Butadiene rubber latex is grafted with styrene–acrylonitrile to give ABS — the dominant engineering thermoplastic for automotive, consumer electronics, and appliance housings.

ABSSANMBS
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Nylon-6,6 Intermediates

Hydrocyanation of butadiene with HCN gives adiponitrile (ADN), which is hydrogenated to hexamethylenediamine (HMDA) — one of the two monomers for nylon-6,6.

ADNHMDANylon-6,6
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SBS & SIS Block Copolymers

Anionic polymerisation with lithium initiators gives SBS and SEBS thermoplastic elastomers used in adhesives, bitumen modification, and soft-touch applications.

SBSSEBSAdhesives

Why source 1,3-Butadiene through Chelora Petrochem?

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Verified Origin

Full origin certification and asset-backed supply chain documentation — no grey-market supply.

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Grade Flexibility

Standard and custom grades available. Impurity specifications can be tailored to your process and catalyst system.

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Full Documentation

CoA, SDS, UN transport docs, REACH compliance, and destination-market certificates with every shipment.

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Logistics Support

Experienced in specialised chemical logistics for compressed gases and volatile liquids — Indian and international delivery.

Storage & Handling Guidelines

Always refer to the full SDS before handling. The following is a summary of key requirements.

  • Store in a well-ventilated, dedicated area away from ignition sources, heat, and sunlight.
  • All electrical equipment in storage and handling areas must be ATEX/IECEx rated for the applicable zone.
  • Ensure full bonding and earthing of all transfer equipment during any transfer operation.
  • Never store with strong oxidisers, halogens, or materials that generate static.
  • Install continuous gas detection with audible and visual alarms set below the LEL.
  • Use only approved pressure-rated piping, valves, and fittings with compatible materials.
  • Conduct pre-use and post-use leak checks with suitable gas detection equipment.
  • Maintain inhibitor levels where applicable; check on receipt and periodically during storage.

Hazard Summary

Classification: Flammable Gas/Liquid · Flammable limits 2.0 – 11.5% v/v v/v · UN 1010.

Flammability: Highly flammable — never rely on odour to detect leaks. Use continuous gas monitoring below LEL.

Health: Asphyxiant in enclosed spaces. Oxygen monitoring mandatory in confined areas. Follow occupational exposure limits (OELs) per SDS.

PPE minimum: Chemical goggles, appropriate gloves, flame-retardant clothing, and supplied-air respirator where oxygen deficiency is possible.

Consult the full SDS for exposure limits, spill containment, emergency response, and disposal before any use.

Frequently Asked Questions

Technical and commercial questions about 1,3-Butadiene sourcing and specifications.

What is 1,3-butadiene used for?

1,3-Butadiene is the primary feedstock for the synthetic rubber industry — SBR (tyres), polybutadiene rubber, nitrile rubber (NBR), and neoprene — and for ABS engineering resin, nylon-6,6 intermediates (via adiponitrile), and SBS/SEBS thermoplastic elastomers.

Why does 1,3-butadiene require an inhibitor during storage?

Butadiene can undergo spontaneous, exothermic polymerisation (popcorn polymerisation) especially in the presence of oxygen or at elevated temperature. TBC (tert-butylcatechol) inhibitor is added at 50–200 ppm to prevent runaway. Inhibitor level must be verified before and during storage — material with degraded inhibitor must not be used.

How is 1,3-butadiene produced?

The dominant route is extraction from the C₄ fraction of steam crackers using extractive distillation (NMP or DMF solvent process). Minor routes include dehydrogenation of n-butane or n-butenes (Houdry, oxidative dehydrogenation). Cracker co-production means butadiene supply is partly linked to ethylene/naphtha cracker operating rates.

Is 1,3-butadiene carcinogenic?

Yes — 1,3-butadiene is classified as a Group 1 human carcinogen (IARC) and a known carcinogen under many national regulations. Handling must comply strictly with applicable occupational exposure limits (OELs), which are typically very low (e.g. 1–2 ppm TWA). Closed-system handling, continuous gas detection, and full PPE are mandatory.

What is the CAS number for 1,3-butadiene?

1,3-Butadiene has CAS number 106-99-0, molecular formula C₄H₆, and molecular weight 54.09 g/mol. Its IUPAC name is buta-1,3-diene. The four carbon atoms are all sp²-hybridised, giving a conjugated π system with a planar s-trans ground-state conformation.

What documentation does Chelora provide?

Every shipment includes a Certificate of Analysis (CoA) covering purity, vinylacetylene, 1,2-butadiene, inhibitor level and moisture; a Safety Data Sheet (SDS) per GHS/REACH; UN transport documents; and any destination-market regulatory certificates.

Request a quote or specification sheet

Talk to Chelora's sourcing team about 1,3-Butadiene grade, volume, logistics, documentation, and lead times. We respond within one business day.