Structure
Identifiers
CAS:
106-99-0IUPAC name: buta-1,3-diene
Formula:
C4H6MW: 54.09 g/mol
Structural identifiers
SMILES: C=CC=C
InChIKey: KAKZBPTYRLMSJV-UHFFFAOYSA-N
InChI: InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2
Specifications
Commercial
Inventory: to order
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Request a quote →Physical & chemical properties
Computed descriptors aggregated from PubChem for CAS 106-99-0.
| XLogP | 2 |
|---|---|
| Complexity | 21 |
| Exact mass | 54.0469501914 g/mol |
| Formal charge | 0 |
| Heavy atom count | 4 |
| Monoisotopic mass | 54.0469501914 g/mol |
| H-bond donor count | 0 |
| Rotatable bond count | 1 |
| H-bond acceptor count | 0 |
| Topological polar surface area (TPSA) | 0 Ų |
China regulatory compliance
Not listed in hazardous / restricted catalogues
Sourcing & suppliers — buta-1,3-diene
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Who supplies buta-1,3-diene in China?
No verified supplier has signed for buta-1,3-diene (CAS 106-99-0) yet — it's in ChemExact's inquiry pool. Submit a request and our team returns 3+ comparative quotes within 48–72h, each with a COA and batch traceability.
Which suppliers provide a COA or analysis report for buta-1,3-diene?
A batch-specific Certificate of Analysis ships with every buta-1,3-diene (CAS 106-99-0) order. Request the latest COA through ChemExact — every quote includes a COA and batch traceability.
Frequently asked questions
Curated by ChemExact's editorial team and reviewed by chemistry and API procurement specialists. Each factual claim is traceable to the cross-source citation graph at the bottom of the page.
What is buta-1,3-diene (CAS 106-99-0)?
buta-1,3-diene is a chemical compound with molecular formula C4H6 and molecular weight ≈ 54.09 g/mol. Its CAS Registry Number is 106-99-0. 1,3-Butadiene can cause cancer according to an independent committee of scientific and health experts. It can cause developmental toxicity, female reproductive toxicity and male reproductive toxicity according to The National Institute for Occupational Safety and Health (NIOSH) and The Environmental Protection Agency (EPA).
What chemical does CAS 106-99-0 refer to?
CAS Registry Number 106-99-0 refers to buta-1,3-diene, molecular formula C4H6, molecular weight ≈ 54.09 g/mol. The CAS number is verifiable on PubChem, CAS Common Chemistry and ECHA. To source buta-1,3-diene, submit an RFQ on this page to be matched with ChemExact's verified supplier network, with batch COAs.
What is the molecular formula and weight of buta-1,3-diene (CAS 106-99-0)?
The molecular formula of buta-1,3-diene is C4H6, and the molecular weight is 54.09 g/mol. This data has been cross-verified against PubChem, ChEMBL and CAS Common Chemistry.
What are the SMILES and InChIKey of buta-1,3-diene?
The canonical SMILES of buta-1,3-diene is `C=CC=C`, and the InChIKey is `KAKZBPTYRLMSJV-UHFFFAOYSA-N`. These international identifiers are reusable in PubChem, ChemDraw, RDKit and most cheminformatics toolchains.
What are the common synonyms of buta-1,3-diene?
Common synonyms of buta-1,3-diene include: 1,3-BUTADIENE, Buta-1,3-diene, 106-99-0, Divinyl, Biethylene, Vinylethylene, Bivinyl, Erythrene — 20 synonyms in total. The full list (sourced from PubChem) is available in the page header under "Show synonyms".
What is the current price of buta-1,3-diene (CAS 106-99-0)?
ChemExact does not publish public price lists for buta-1,3-diene. No verified supplier has linked this SKU yet — submit an RFQ below and our BD team will return 3+ comparative quotes within 48–72 hours, each with batch traceability and a COA. For background market context only (non-binding), industry bulletins such as ICIS or national commodity indices may be consulted independently.
How has buta-1,3-diene price trended recently?
buta-1,3-diene pricing follows upstream feedstocks, export demand, and plant turnaround cycles. ChemExact does not quote spot indices on this page. For a procurement decision, submit an RFQ — suppliers respond with current lot pricing and lead time. Independent market bulletins (ICIS, national commodity indices) may be used only as non-binding background reference.
Who are the major manufacturers of buta-1,3-diene in China?
China-based manufacturers of buta-1,3-diene (CAS 106-99-0) are matched on demand by the ChemExact business team. Submit an RFQ or contact bd@chemexact.com — a BD advisor will shortlist candidates from regulated directories (e.g. China MEM hazardous-chemicals registration at https://whpdj.mem.gov.cn/) with full provenance on each dossier. Supplier discovery is handled through ChemExact's verified network, not third-party marketplaces.
Which suppliers in East / North / South China stock buta-1,3-diene?
Regional supply of buta-1,3-diene (CAS 106-99-0) is matched on demand through ChemExact's own verified network. Submit an RFQ stating your target region (East / North / South China), or reach the ChemExact business team at bd@chemexact.com — a BD advisor will match verified producers from regulated enterprise registries and return comparable quotes with COAs. When ChemExact's geo-browse directory is enabled, city-level supplier pages list credentials and last review dates.
Who are the largest global producers of buta-1,3-diene?
International supply of buta-1,3-diene (CAS 106-99-0) is arranged by the ChemExact business team based on export credentials. Submit an RFQ or contact bd@chemexact.com — a BD advisor will match qualified exporters and return batch COAs, trade terms, and Incoterms. For regulatory due diligence, consult ECHA REACH (CAS 106-99-0), US EPA CompTox, or Japan NITE — these are compliance references, not procurement marketplaces.
What grades of buta-1,3-diene are commercially available?
buta-1,3-diene is typically supplied in the following grades: Industrial / Technical (≥ 99%, bulk feedstock), Reagent (AR/CP/GR, ≥ 99.5%, lab analytics), HPLC / GC (≥ 99.9%, chromatography & spectroscopy). Grade-specific specs are confirmed via the supplier's SDS and CoA. ChemExact lets verified suppliers attach hash-validated CoA/SDS files on their brand product pages.
Where can I download the SDS / MSDS for buta-1,3-diene (CAS 106-99-0)?
Authoritative SDS sources: ① PubChem 'Safety and Hazards' section — https://pubchem.ncbi.nlm.nih.gov/compound/7845; ② US NIH Hazardous Substances Data Bank (HSDB); ③ ECHA REACH dossier; ④ Supplier-attached SDS on verified ChemExact brand pages. ChemExact does not host SDS files directly (to avoid version drift); all SDS links route to source.
Related research papers
Open-access publications referencing buta-1,3-diene (CAS 106-99-0), sourced from OpenAlex.
Glossary of terms used in physical organic chemistry (IUPAC Recommendations 1994)
Allenes in Catalytic Asymmetric Synthesis and Natural Product Syntheses
Glossary of class names of organic compounds and reactivity intermediates based on structure (IUPAC Recommendations 1995)
Efficient Exploration of Reactive Potential Energy Surfaces Using Car-Parrinello Molecular Dynamics
Enantioenriched Helicenes and Helicenoids Containing Main-Group Elements (B, Si, N, P)
Chalcogen bonding in synthesis, catalysis and design of materials
Authoritative external references
Every chemistry property, compliance flag and literature claim on this page is traceable to the authoritative external sources below. Click any link to verify on the publishing institution's original page.
- ChEMBL · CHEMBL537970 ↗ — EMBL-EBI · ChEMBL
- NIST WebBook · 1,3-Butadiene ↗ — NIST · Standard Reference Data Program
- OpenAlex papers ↗ — OurResearch · OpenAlex
- China compliance (IECSC) ↗ — MEE · China IECSC
- PubChem PUG-View · CID 7845 ↗ — National Library of Medicine · PubChem
- PubChem · CID 7845 ↗ — National Library of Medicine · PubChem
Content & data statement.
Commercial information on this page (CAS, HS, EC, purity grade, indicative price band, lead time, inventory status,
REACH and FDA flags) is captured from supplier-controlled documents by the ChemExact editorial desk and reviewed
on a recurring cycle. Chemistry data — structures, synonyms, physico-chemical properties, hazard classifications and
the cited literature — is reconciled against internationally recognised authorities (including but not limited to
PubChem, CAS Common Chemistry, ECHA, China MEM, ChEMBL and OpenAlex) and cross-checked by our editors.
Disclaimer: This page is intended as a procurement-side technical reference and does not constitute legal, regulatory, or medical advice. Lot-level conformity is determined by the supplier-signed CoA and SDS. Transport, storage and handling must follow the applicable jurisdictional regulations and product SDS. If you spot a discrepancy with an authoritative source, please contact our editorial team — we review correction requests within five business days.
Disclaimer: This page is intended as a procurement-side technical reference and does not constitute legal, regulatory, or medical advice. Lot-level conformity is determined by the supplier-signed CoA and SDS. Transport, storage and handling must follow the applicable jurisdictional regulations and product SDS. If you spot a discrepancy with an authoritative source, please contact our editorial team — we review correction requests within five business days.
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