Geraniol
Athanor · official
C10H18O · 154.25 g/mol
IUPAC name: (2E)-3,7-dimethylocta-2,6-dien-1-ol
Also called rose oil, lemonol, geranyl alcohol
WarningMay cause an allergic skin reactionNames and identifiers
- IUPAC name
- (2E)-3,7-dimethylocta-2,6-dien-1-ol
- Synonyms
- rose oil, lemonol, geranyl alcohol
+ 37 more
Geranyl alcohol, Lemonol, trans-Geraniol, (E)-3,7-Dimethylocta-2,6-dien-1-ol, (E)-Geraniol, (2E)-3,7-dimethylocta-2,6-dien-1-ol, beta-Geraniol, Geraniol alcohol, (E)-Nerol, (E)-3,7-Dimethyl-2,6-octadien-1-ol, Geraniol Extra, trans-3,7-Dimethyl-2,6-octadien-1-ol, Guaniol, 2,6-Octadien-1-ol, 3,7-dimethyl-, (2E)-, t-geraniol, 3,7-Dimethyl-trans-2,6-octadien-1-ol, 2,6-Octadien-1-ol, 3,7-dimethyl-, (E)-, (2E)-3,7-Dimethyl-2,6-octadien-1-ol, FEMA No. 2507, 2-trans-3,7-Dimethyl-2,6-octadien-1-ol, NSC-9279, 2,6-Octadien-1-ol, 3,7-dimethyl-, trans-, DTXSID8026727, CHEBI:17447, NSC9279, 2,6-Dimethyl-2,6-octadien-8-ol, 3,7-Dimethyl-2,6-octadien-1-ol, (E)-, trans-3,7-dimethyl-2,6-octadien-8-ol, L837108USY, 2,6-Dimethyl-trans-2,6-octadien-8-ol, DTXCID406727, 3,7-Dimethyl-(E)-2,6-Octadien-1-ol, geraniol, (Z)-, RefChem:5856, 203-377-1, 3,7-dimethylocta-2,6-dien-1-ol, ROSE OIL
- Molecular formula
- C10H18O
- Empirical formula
- C10H18O
- Molecular weight
- 154.25 g/mol
- Exact mass
- 154.13577
- CAS number
- 106-24-1
- PubChem CID
- 637566
- Canonical SMILES
- CC(=CCCC(=CCO)C)C
- Isomeric SMILES
- CC(=CCC/C(=C/CO)/C)C
- InChI
- InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+
- InChIKey
- GLZPCOQZEFWAFX-JXMROGBWSA-N
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Physical properties
- Appearance
- Colorless to pale-yellow, liquid oil[3]
3 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source – Geraniol is a colorless to pale yellow oily liquid with a sweet rose odor. (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina. – CBI; Dry Powder; Liquid; Liquid [2] EPA Chemical Data Reporting (CDR) –shown Colorless to pale-yellow, liquid oil [3] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. V3: 1760 - Odor
- Pleasant, floral odor[3]
2 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source – Pleasant geranium-like odor [3] Hazardous Substances Data Bank (HSDB)cites Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 665 –shown Pleasant, floral odor [3] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. V3: 1760 - Melting point
- less than -15 °C (5 °F, NTP 1992)[1]
- Boiling point
- 230 °C[3]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source 230 °C 446 °F at 760 mmHg (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina. 230 °Cshown 230 °C [3] Hazardous Substances Data Bank (HSDB)cites Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 665 - Density
- 0.8894 at 20 °C (68 °F) (NTP, 1992) - Less dense than water[1]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source –shown 0.8894 at 68 °F (NTP, 1992) - Less dense than water [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina. – Density: 0.870-0.890 at 15 °C [3] Hazardous Substances Data Bank (HSDB)cites Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 665 - Solubility in water
- 1:3 in 70% alcohol[3]
4 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source – In water, 100 mg/L at 25 °C [3] Hazardous Substances Data Bank (HSDB)cites Chem Inspect Test Inst; Biodegradation and Bioaccumulation Data of Existing Chemicals Based on the CSCL Japan; Published by Japan Chemical Industry Ecology-Toxicology & Information Center. ISBN 4-89074-101-1 (1992) – Slightly soluble in water [3] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. V3: 1760 –shown 1:3 in 70% alcohol [3] Hazardous Substances Data Bank (HSDB)cites Burdock, G.A. (ed.). Fenaroli's Handbook of Flavor Ingredients. 6th ed.Boca Raton, FL 2010, p. 734 – For more Solubility (Complete) data for GERANIOL (7 total), please visit the HSDB record page. [3] Hazardous Substances Data Bank (HSDB) - log P
- log Kow = 3.56[3]
- Flash point
- 108 °C (226 °F) - closed cup[3]
2 values
Only one source reports it.
Value As written Source 108 °Cshown 108 °C (226 °F) - closed cup [3] Hazardous Substances Data Bank (HSDB)cites Sigma-Aldrich; Safety Data Sheet for Geraniol. Product Number: 163333, Version 4.9 (Revision Date 12/11/2015). Available from, as of April 29, 2016: https://www.sigmaaldrich.com/safety-center.html > 100 °C >212 °F (>100 °C) (closed cup) [3] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-68 - Refractive index
- Index of refraction: 1.4710-1.4780 at 20 °C[3]
Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.
Calculated
- Heavy atoms
- 11
- Rings
- 0
- Aromatic rings
- 0
- Fraction sp³ carbons (Fsp3)
- 0.6
- H-bond donors
- 1
- H-bond acceptors
- 1
- Rotatable bonds
- 4
- TPSA (Ų)
- 20.2
- Formal charge
- 0
- XLogP3
- 2.9 PubChem
- Complexity
- 150 PubChem
- Stereocenters
- None
- Double-bond geometry
- C7=C9: E
- Point group
- C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)
Elemental analysis
- C77.87%
- H11.76%
- O10.37%
Isotope pattern
Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.
Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.
Predicted
- log P
- 2.67 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- -2.22 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 2.68 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 154.25
- log P ≤ 5 (Crippen): 2.67
- H-bond donors ≤ 5: 1
- H-bond acceptors ≤ 10: 1
Passes all four rules.
¹³C NMR shifts, predicted
Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.
Safety
Warning
Harmonized EU classification (CLP Annex VI). Source [4].
- Harmful or irritant
- H317May cause an allergic skin reaction
Precautionary statements: P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501
View all classifications (4)
- [4] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · WarningH317
- [5] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 0.3% (7 of 2637) of reports.
- [5] European Chemicals Agency (ECHA) · 2,637 reports · DangerH315, H317, H318
- [3] Hazardous Substances Data Bank (HSDB) · DangerH315, H317, H318, H402
First aid
- Eyes: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. Immediately transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. Skin: Immediately flood affected skin with water while removing and isolating all contaminated clothing.[1]
Storage
- Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Storage class (TRGS 510): Combustible liquids.[3]
Incompatibilities
- Incompatible materials Strong oxidizing agents, acid chlorides, acid anhydrides[3]
Safety data sheets on the supplier’s page: AA BLOCKS, BOC Sciences, Aladdin Scientific.
Always read the supplier’s safety data sheet before working with it.
Spectra
- NMRHazardous Substances Data Bank (HSDB) · NMRShiftDB · NMRShiftDB
- 1H NMRHuman Metabolome Database (HMDB) (JEOL · 400 MHz · CDCl3) · SpectraBase (Varian A-60D)
- 13C NMRHuman Metabolome Database (HMDB) (Varian · 25.16 MHz · CDCl3) · SpectraBase
- GC-MSHuman Metabolome Database (HMDB) (GC-MS) · Human Metabolome Database (HMDB) (EI-B · positive) · Human Metabolome Database (HMDB) (EI-B · positive) · Human Metabolome Database (HMDB) (EI-B · positive) · Human Metabolome Database (HMDB) (EI-B · positive) · Human Metabolome Database (HMDB) (EI-B · positive)
- MS-MSHuman Metabolome Database (HMDB) (n/a · negative) · Human Metabolome Database (HMDB) (QTOF · positive) · Human Metabolome Database (HMDB) (QTOF · positive) · Human Metabolome Database (HMDB) (QTOF · positive) · Human Metabolome Database (HMDB) (QTOF · positive) · Human Metabolome Database (HMDB) (QTOF · positive)
- Other MSHazardous Substances Data Bank (HSDB) · MassBank Europe (HITACHI RMU-6M · EI-B · POSITIVE) · MassBank Europe (JEOL JMS-01-SG-2 · EI-B · POSITIVE) · MassBank Europe (HITACHI RMU-6M · EI-B · POSITIVE) · MassBank Europe (JEOL JMS-D-300 · EI-B · POSITIVE) · MassBank Europe (HITACHI M-80 · EI-B · POSITIVE)
- UVHazardous Substances Data Bank (HSDB)
- IRHazardous Substances Data Bank (HSDB)
- FTIRSpectraBase (CAPILLARY CELL: NEAT)
- ATR-IRSpectraBase (Bruker Tensor 27 FT-IR · ATR-Neat (DuraSamplIR II))
- Near IRSpectraBase (BRUKER IFS 88 · NIR)
- Vapor Phase IRSpectraBase (DIGILAB FTS-14 · Vapor Phase)
- RamanSpectraBase (Bruker MultiRAM Stand Alone FT-Raman Spectrometer · FT-Raman)
Experimental spectra held by these sources; each link opens the source's own record.
Literature
Reading PubChem, OpenAlex and GSRS…
Bioactivity
Reading ChEMBL…
References
- [1]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
- [2]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
- [3]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
- [4]Regulation (EC) No 1272/2008 of the European Parliament and of the Council · EU reuse policy, CC BY 4.0 · via PubChem · retrieved 2026-10-14
- [5]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
- [6]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
- [7]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
- [8]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
- [9]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
- [10]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
- [11]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
- ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
- ·Literature on PubChem
Data last updated 2026-10-14.