Linalool
A monoterpenoid that is octa-1,6-diene substituted by methyl groups at positions 3 and 7 and a hydroxy group at position 3. It has been isolated from plants like Ocimum canum. — ChEBI
Safety documents & references
1 indexed referencesFind a product-specific SDS
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Identity & molecular properties
Source-linked values| CAS number | 78-70-6 | ChEBI ↗ |
| Molecular formula | C10H18O | ChEBI ↗ |
| Molar mass | 154.253 g/mol | ChEBI ↗ |
| Monoisotopic mass | 154.13577 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:17580 | ChEBI ↗ |
Cross-source molecular data
PubChem| Molar mass | 154.25 g/mol | PubChem ↗ |
| Exact mass | 154.135765193 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 | 4 | 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 identifierlinalool3,7-dimethylocta-1,6-dien-3-olCDOSHBSSFJOMGT-UHFFFAOYSA-NC=CC(C)(O)CCC=C(C)CInChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3Names & synonyms
Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.
Classification & 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 governmentLinalool · 24A6020
| Endpoint | Reported classification |
|---|---|
| Flammable liquids | Category 4 |
| Skin corrosion/irritation | Category 2 |
| Serious eye damage/eye irritation | Category 2A |
| Skin sensitization | Category 1 |
| Reproductive toxicity | Category 2 |
| Specific target organ toxicity - Single exposure | Category 3 （Narcotic effects） |
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 154.253 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.