Structure
Identifiers
CAS:
104-76-7IUPAC name: 2-ethylhexan-1-ol
Formula:
C8H18OMW: 130.23 g/mol
Structural identifiers
SMILES: CCCCC(CC)CO
InChIKey: YIWUKEYIRIRTPP-UHFFFAOYSA-N
InChI: InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
Specifications
Commercial
Inventory: to order
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Request a quote →Physical & chemical properties
Computed descriptors aggregated from PubChem for CAS 104-76-7.
| XLogP | 3.1 |
|---|---|
| Complexity | 52 |
| Exact mass | 130.135765193 g/mol |
| Formal charge | 0 |
| Heavy atom count | 9 |
| Monoisotopic mass | 130.135765193 g/mol |
| H-bond donor count | 1 |
| Rotatable bond count | 5 |
| H-bond acceptor count | 1 |
| Topological polar surface area (TPSA) | 20.2 Ų |
China regulatory compliance
Not listed in hazardous / restricted catalogues
Sourcing & suppliers — 2-ethylhexan-1-ol
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Who supplies 2-ethylhexan-1-ol in China?
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Which suppliers provide a COA or analysis report for 2-ethylhexan-1-ol?
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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 2-ethylhexan-1-ol (CAS 104-76-7)?
2-ethylhexan-1-ol is a chemical compound with molecular formula C8H18O and molecular weight ≈ 130.23 g/mol. Its CAS Registry Number is 104-76-7. 2-ethylhexan-1-ol is a primary alcohol that is hexan-1-ol substituted by an ethyl group at position 2. It has a role as a volatile oil component and a plant metabolite.
What chemical does CAS 104-76-7 refer to?
CAS Registry Number 104-76-7 refers to 2-ethylhexan-1-ol, molecular formula C8H18O, molecular weight ≈ 130.23 g/mol. The CAS number is verifiable on PubChem, CAS Common Chemistry and ECHA. To source 2-ethylhexan-1-ol, 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 2-ethylhexan-1-ol (CAS 104-76-7)?
The molecular formula of 2-ethylhexan-1-ol is C8H18O, and the molecular weight is 130.23 g/mol. This data has been cross-verified against PubChem, ChEMBL and CAS Common Chemistry.
What are the SMILES and InChIKey of 2-ethylhexan-1-ol?
The canonical SMILES of 2-ethylhexan-1-ol is `CCCCC(CC)CO`, and the InChIKey is `YIWUKEYIRIRTPP-UHFFFAOYSA-N`. These international identifiers are reusable in PubChem, ChemDraw, RDKit and most cheminformatics toolchains.
What are the common synonyms of 2-ethylhexan-1-ol?
Common synonyms of 2-ethylhexan-1-ol include: 2-Ethylhexan-1-ol, 2-Ethylhexanol, 2-ETHYL-1-HEXANOL, 104-76-7, 2-Ethylhexyl alcohol, 1-Hexanol, 2-ethyl-, Ethylhexanol, 2-ETHYL HEXANOL — 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 2-ethylhexan-1-ol (CAS 104-76-7)?
ChemExact does not publish public price lists for 2-ethylhexan-1-ol. 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 2-ethylhexan-1-ol price trended recently?
2-ethylhexan-1-ol 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 2-ethylhexan-1-ol in China?
China-based manufacturers of 2-ethylhexan-1-ol (CAS 104-76-7) 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 2-ethylhexan-1-ol?
Regional supply of 2-ethylhexan-1-ol (CAS 104-76-7) 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 2-ethylhexan-1-ol?
International supply of 2-ethylhexan-1-ol (CAS 104-76-7) 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 104-76-7), US EPA CompTox, or Japan NITE — these are compliance references, not procurement marketplaces.
What grades of 2-ethylhexan-1-ol are commercially available?
2-ethylhexan-1-ol 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 2-ethylhexan-1-ol (CAS 104-76-7)?
Authoritative SDS sources: ① PubChem 'Safety and Hazards' section — https://pubchem.ncbi.nlm.nih.gov/compound/7720; 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 2-ethylhexan-1-ol (CAS 104-76-7), sourced from OpenAlex.
Volatile organic compounds emitted by Trichoderma species mediate plant growth
The identification of prostaglandins E2, F2α and A2 from rabbit kidney medulla
Microbial volatile organic compounds: Antifungal mechanisms, applications, and challenges
Studies in detoxication. 46. The metabolism of aliphatic alcohols. The glucuronic acid conjugation of acyclic aliphatic alcohols
A meta-analysis approach for assessing the diversity and specificity of belowground root and microbial volatiles
Identification of Suitable Biomarkers for Stress and Emotion Detection for Future Personal Affective Wearable Sensors
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 · CHEMBL31637 ↗ — EMBL-EBI · ChEMBL
- NIST WebBook · 1-Hexanol, 2-ethyl- ↗ — NIST · Standard Reference Data Program
- OpenAlex papers ↗ — OurResearch · OpenAlex
- China compliance (IECSC) ↗ — MEE · China IECSC
- PubChem PUG-View · CID 7720 ↗ — National Library of Medicine · PubChem
- PubChem · CID 7720 ↗ — 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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