Compound: Linalool
SMILES: OC(C=C)(CCC=C(C)C)C
InChIKey: CDOSHBSSFJOMGT-UHFFFAOYSA-N
Synonyms: Linalool, 78-70-6, 3,7-Dimethylocta-1,6-dien-3-ol, Linalol, LINALYL ALCOHOL, beta-Linalool, 3,7-Dimethyl-1,6-octadien-3-ol, allo-Ocimenol, (+-)-Linalool, 1,6-Octadien-3-ol, 3,7-dimethyl-, dl-Linalool, 2,6-Dimethylocta-2,7-dien-6-ol, 2,6-Dimethyl-2,7-octadien-6-ol, FEMA No. 2635, (RS)-Linalool, DIABEXALL, D81QY6I88E, DTXSID7025502, CHEBI:17580, NSC-3789, Licareol, DTXCID305502, L 260-2, RefChem:41471, LINALOOL, (A+-)-, NDI 595, 7-methyl-3-methyleneocta-4,6-dien-2-ol, 201-134-4, 245-083-6, muguol, p-Linalool, Linanool, Linolool, Phantol, .beta.-Linalool, (+/-)-linalool, 2,6-Dimethyl-2,7-octadiene-6-ol, NSC 3789, (1)-3,7-Dimethyl-1,6-octadien-3-ol, 3,7-dimethyl-octa-1,6-dien-3-ol, MFCD00008906, LINALOOL, (+/-)-, NSC3789, Linalool 1000 microg/mL in Isopropanol, 22564-99-4, Linalool (natural), Caswell No. 526A, (S)-Linalol, FEMA Number 2635, CAS-78-70-6, CCRIS 6557, HSDB 645, EINECS 201-134-4, EINECS 245-083-6, EPA Pesticide Chemical Code 128838, BRN 1721488, UNII-D81QY6I88E, AI3-00942, Linalool b, Linalool, .beta., ( )-linalool, Linalool (Standard), Linalool, 97%, 2,7-Octadien-6-ol, 2,6-dimethyl-, (R)-(-)-3,7-Dimethyl-1,6-octadien-3-ol, 3,6-octadien-3-ol, Linalool Synthetic FCC, 2,7-octadiene-6-ol, LINALOOL [FHFI], LINALOOL [HSDB], LINALOOL [FCC], 2,7-dien-6-ol, 3,6-dien-3-ol, dl-3,7-Dimethyl-3-hydroxy-1,6-octadiene, LINALOOL [MI], LINALOOL, DL-, LINOLOOL (D), (.+/-.)-Linalool, Linalool - Natural grade, Linalool - synthetic grade, LINALOOL [USP-RS], LINALOOL [WHO-DD], Linalool Natural Ex Orange, EC 201-134-4, SCHEMBL20316, Linalool, analytical standard, 0-01-00-00462 (Beilstein Handbook Reference), MLS002152908, CHEMBL25306, Linalool Natural ex Howood oil, GTPL2469, NDI 595 [FDMS], orb1304640, orb3139787, SCHEMBL28087203, SCHEMBL28140875, FEMA 2635, HY-N0368R, Linalool Natural ex Bois de Rose, MSK3303, HMS2268E18, HMS3886G07, HMS5084M03, Linalool, >=97%, FCC, FG, 1, 3,7-dimethyl-, (-)-, 3,7-diemthyl-1,6-octadien-3-ol, HY-N0368, WLN: 1U1XQ1&3UY1&1, Tox21_201658, Tox21_303037, 1,6-octadien-3-ol, 3,7-dimethyl, AC-551, BBL027734, BDBM50459894, EBC-47155, s4957, SBB012353, STL373777, 3,7-Dimethyl-1, 6-octadien-3-ol, AKOS015901617, octa-1,6-dien-3-ol,3,7-dimethyl-, CCG-266253, FL30206, NCGC00091688-01, NCGC00091688-02, NCGC00091688-03, NCGC00091688-04, NCGC00257060-01, NCGC00259207-01, AS-56047, DA-54934, FL138844, SMR000112394, ST069326, WLN: 1Y1&U3XQ1&1U1 -,-, DB-062552, (+/-)-3,7-Dimethyl-1,6-octadien-3-ol, CS-0008916, L0048, NS00005142, C03985, EN300-174564, F17676, (+/-)-3,7-Dimethyl-3-hydroxy-1,6-octadiene, F222224, Linalool, primary pharmaceutical reference standard, Q410932, CU-01000013132-2, BRD-A43082461-001-06-3, Linalool, certified reference material, TraceCERT(R), Z1255402668
Theoretical properties:
molecular_formula: C10H18O
molecular_weight: 154.25 g/mol
exact_mass: 154.135765193 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 4
heavy_atom_count: 11
topological_polar_surface_area: 20.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless liquid
color: Colorless liquid
odor: Odor similar to that of bergamot oil and French lavender
boiling_point: 198 °C
melting_point: Freezing point: below -74 °C /OECD Guideline 102 (Melting point / Melting Range)/
density: 0.865 at 15 °C
solubility: In water, 1590 mg/L at 25 °C
flash_point: 78 °C (172 °F) - closed cup
vapor_pressure: 0.16 [mmHg]
Descriptions:
pubchem: Linalool is 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. It has a role as a volatile oil component, an antimicrobial agent, a fragrance and a plant metabolite. It is a monoterpenoid and a tertiary alcohol.
chebi: 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 <em>Ocimum canum</em>.
chembl: LINALOOL is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Linalool (), also called linalol refers to two enantiomers of a naturally occurring terpene alcohol found in many flowers and spice plants. Together with geraniol, nerol, and citronellol, linalool is one of the rose alcohols. Linalool has multiple commercial applications, the majority of which are based on its pleasant scent (floral, with a touch of spiciness).
A colorless oil, linalool is classified as an acyclic monoterpenoid. In plants, it is a metabolite, a volatile oil component, an antimicrobial agent, and an aroma compound. Linalool has uses in manufacturing of soaps, fragrances, food additives as flavors, household products, and insecticides.  Esters of linalool are referred to as linalyl, e.g. linalyl pyrophosphate, an isomer of geranyl pyrophosphate.
The word linalool is based on linaloe (a type of wood) and the suffix -ol. In food manufacturing, it may be called coriandrol.