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Chemical substance record

Nerolidol

7212-44-4C15H26O222.372 g/mol

A farnesane sesquiterpenoid that is dodeca-1,6,10-triene which carries methyl groups at positions 3, 7 and 11 and a hydroxy group at position 3. It is a natural product that is present in various flowers and plants with a floral odor. Chemically, it exists in two geometric isomers, trans and cis forms. It is widely used in cosmetics (e.g. shampoos and perfumes), in non-cosmetic products (e.g. detergents and cleansers) and also as a food flavoring agent. — ChEBI

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Identity & molecular properties

Source-linked values
CAS number7212-44-4ChEBI ↗
Molecular formulaC15H26OChEBI ↗
Molar mass222.372 g/molChEBI ↗
Monoisotopic mass222.19837 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:7524ChEBI ↗

Cross-source molecular data

PubChem
Molar mass222.37 g/molPubChem ↗
Exact mass222.198365449 DaPubChem ↗
Computed XLogP4.6PubChem ↗
Topological polar surface area (Ų)20.2PubChem ↗
H-bond donors1PubChem ↗
H-bond acceptors1PubChem ↗
Rotatable bonds7PubChem ↗

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 identifier
nerolidol
3,7,11-trimethyldodeca-1,6,10-trien-3-ol
FQTLCLSUCSAZDY-UHFFFAOYSA-N
[H]C(CCC(C)(O)C=C)=C(C)CCC=C(C)C
InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3

Names & synonyms

3,7,11-trimethyldodeca-1,6,10-trien-3-olStirrup

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

Roles recorded in ChEBI

antioxidantherbicideinsect attractantpheromonevolatile oil componentflavouring agentantihypertensive agentantifungal agentneuroprotective agentcosmetic

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.00449697 mol

Uses 222.372 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions
C
Carbon · 15 atoms
81.02%
H
Hydrogen · 26 atoms
11.79%
O
Oxygen · 1 atom
7.19%

Calculated 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 associations

Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:7524

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

NCBI PubChem · CID 8888 · retrieved 2026-09-27

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.