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Linalyl acetate

Linalyl acetate, C12H20O2, is the ester the house’s lavender essay credits with fine lavender’s refined, slightly sweet quality. Its identity is PubChem’s; its place in lavender oil is the trade’s convention here.

No share and no ratio to linalool is given: no analysis of the oil is filed.

Read the essay · The material

The record

Each field carries its evidence: open a chip for the source, the quoted words and the confidence. A field with nothing behind it says so and stays empty.

Name
linalyl acetate
documented

Linalyl Acetate

PUBCHEM-8294 · PubChem Compound Summary for CID 8294, Linalyl Acetate (3,7-dimethylocta-1,6-dien-3-yl ace · read 2026-09-30

confidence A

CAS
115-95-7
documented

115-95-7

PUBCHEM-8294 · PubChem Compound Summary for CID 8294, Linalyl Acetate (3,7-dimethylocta-1,6-dien-3-yl ace · read 2026-09-30

among the CID’s PubChem synonyms, and PubChem resolves it back to this CID

confidence A

PubChem CID
8294
documented

PUBCHEM-8294 · PubChem Compound Summary for CID 8294, Linalyl Acetate (3,7-dimethylocta-1,6-dien-3-yl ace · read 2026-09-30

confidence A

Formula
C12H20O2
documented

PUBCHEM-8294 · PubChem Compound Summary for CID 8294, Linalyl Acetate (3,7-dimethylocta-1,6-dien-3-yl ace · read 2026-09-30

confidence A

Molecular weight
196.29
documented

PUBCHEM-8294 · PubChem Compound Summary for CID 8294, Linalyl Acetate (3,7-dimethylocta-1,6-dien-3-yl ace · read 2026-09-30

g/mol, as PubChem states it

confidence A

IUPAC name
3,7-dimethylocta-1,6-dien-3-yl acetate
documented

PUBCHEM-8294 · PubChem Compound Summary for CID 8294, Linalyl Acetate (3,7-dimethylocta-1,6-dien-3-yl ace · read 2026-09-30

confidence A

SMILES
CC(=CCCC(C)(C=C)OC(=O)C)C
documented

PUBCHEM-8294 · PubChem Compound Summary for CID 8294, Linalyl Acetate (3,7-dimethylocta-1,6-dien-3-yl ace · read 2026-09-30

confidence A

InChIKey
UWKAYLJWKGQEPM-UHFFFAOYSA-N
documented

PUBCHEM-8294 · PubChem Compound Summary for CID 8294, Linalyl Acetate (3,7-dimethylocta-1,6-dien-3-yl ace · read 2026-09-30

confidence A

Odour threshold
110.9 ng/L in air (GC-olfactometry odour threshold in air against (E)-dec-2-enal as internal standard; the geometric mean of eight trained assessors)
measured

OT-2 · Elsharif SA, Banerjee A, Buettner A · read 2026-09-30

the group value (geometric mean); the eight assessors ranged from 12.7 to 407 ng/L

confidence A

Descriptors
refined, slightly sweet
house interpretation

the house’s own reading, labelled as such

the house essay’s words for the ester in fine lavender; no descriptor source is filed

where the site says it: /materials, “Lavandula angustifolia”

confidence C

Volatility class
not on record
not on record

the simulator’s data (modeled) has no entry for linalyl acetate

Regulation
documented

EU-2023-1545: each record above quotes its entry.

3D structure
PubChem computed 3D conformer · 34 atoms, 33 bonds
modeled

PUBCHEM-8294 · PubChem Compound Summary for CID 8294, Linalyl Acetate (3,7-dimethylocta-1,6-dien-3-yl ace · read 2026-09-30

PubChem’s computed 3D conformer (the 3D SDF record): a model, drawn schematically, not an experimental structure

confidence A

Occurs in
  • bergamot essential oil (olio essenziale di bergamotto)
    documented · no share

    named by a review of bergamot oil (the house’s review); its range is not shown. In lavender oil the link is still the trade’s convention, recorded on materials/lavender-essential-oil

    confidence B

In teaching accords

Sources

  1. PUBCHEM-8294 · PubChem Compound Summary for CID 8294, Linalyl Acetate (3,7-dimethylocta-1,6-dien-3-yl acetate). National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine; live database, read 2026-09-30 through the PUG REST endpoints (no account): https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/linalyl%20acetate/cids/JSON · https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/8294/property/MolecularFormula,MolecularWeight,IUPACName,Title,CanonicalSMILES,SMILES,InChIKey/JSON · https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/8294/synonyms/JSON · https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/8294/SDF?record_type=3d; the CAS checked back by https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/115-95-7/cids/JSON. pubchem.ncbi.nlm.nih.gov/compound/8294 · read 2026-09-30 · PubChem data are provided by NCBI (public-domain data; cite PubChem, the asset register molecules row); the computed conformer is PubChem-generated. The raw responses are filed as fetched (the house’s records).
  2. GC-3 · Navarra M, Mannucci C, Delbò M, Calapai G. Citrus bergamia essential oil: from basic research to clinical application. Frontiers in Pharmacology 2015;6:36. DOI 10.3389/fphar.2015.00036. PMID 25784877. PMCID PMC4345801. doi.org/10.3389/fphar.2015.00036 · read 2026-09-30 · CC BY (open access, as the article states); short quotes only, the text is not filed
  3. OT-2 · Elsharif SA, Banerjee A, Buettner A. Structure-odor relationships of linalool, linalyl acetate and their corresponding oxygenated derivatives. Frontiers in Chemistry 2015;3:57. DOI 10.3389/fchem.2015.00057. PMID 26501053. PMCID PMC4594031. doi.org/10.3389/fchem.2015.00057 · read 2026-09-30 · CC BY (open access, as the article states); short quotes only, the text is not filed
  4. EU-2023-1545 · Commission Regulation (EU) 2023/1545 of 26 July 2023 (labelling of fragrance allergens). OJ L 188, 27.7.2023, p. 1. eur-lex.europa.eu/eli/reg/2023/1545/oj · read 2026-09-30 · EU legislation; reuse terms not re-read (UNVERIFIED); quoted

These records are published under CC BY 4.0.

this record as data: /data/molecule/linalyl-acetate.json · version 4 · updated 2026-09-30 · confidence A