Heptan-1-ol
A primary alcohol that is heptane substituted by a hydroxy group at position 1. It has been isolated from Capillipedium parviflorum. — ChEBI
Safety documents & references
1 indexed referencesFind a product-specific SDS
Safety guides and government classification records are not a manufacturer’s SDS. Match supplier, product number, concentration, physical form, region and revision before using a document.
Identity & molecular properties
Source-linked values| CAS number | 111-70-6 | ChEBI ↗ |
| Molecular formula | C7H16O | ChEBI ↗ |
| Molar mass | 116.204 g/mol | ChEBI ↗ |
| Monoisotopic mass | 116.12012 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:43003 | ChEBI ↗ |
Cross-source molecular data
PubChem| Molar mass | 116.20 g/mol | PubChem ↗ |
| Exact mass | 116.120115130 Da | PubChem ↗ |
| Computed XLogP | 2.7 | PubChem ↗ |
| Topological polar surface area (Ų) | 20.2 | PubChem ↗ |
| H-bond donors | 1 | PubChem ↗ |
| H-bond acceptors | 1 | PubChem ↗ |
| Rotatable bonds | 5 | PubChem ↗ |
PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.
Names & structural identifiers
Copy any identifierheptan-1-olheptan-1-olBBMCTIGTTCKYKF-UHFFFAOYSA-NCCCCCCCOInChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3Classification & relationships
ChEBI ontologyRoles recorded in ChEBI
Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.
Safety classification · Japan
NITE / Japanese government1-Heptanol · 22A4168
| Endpoint | Reported classification |
|---|---|
| Flammable liquids | Category 4 |
| Skin corrosion/irritation | Category 2 |
| Serious eye damage/eye irritation | Category 2 |
| Hazardous to the aquatic environment （Acute） | Category 3 |
| Hazardous to the aquatic environment （Long-term） | Category 3 |
Selected source-reported endpoints. Other endpoints, rationales and conditions remain in the original classification. Missing or unlisted information does not mean non-hazardous. This is not a global classification or transport decision.
Read the original NITE classificationMass ↔ amount of substance
Calculated from sourced massUses 116.204 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.
Elemental composition
Theoretical mass fractionsCHOCalculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.
Research & patent references
Selected source associationsSources & record history
Checked 27 Sep 2026Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0
PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.