2,6-Dimethyl-5,7-octadien-2-ol
Basic information
- CAS
5986-38-9- Standard SMILES
C=CC(C)=CCCC(C)(C)O- InChIKey
IJFKZRMIRAVXRK-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Overview
Ocimenol is a metabolite found in or produced by Saccharomyces cerevisiae.
Names & identifiers
- Preferred name
- 2,6-Dimethyl-5,7-octadien-2-ol
- IUPAC
- 2,6-dimethylocta-5,7-dien-2-ol
- English name
- 2,6-dimethyl-5,7-octadien-2-ol
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
DTXSID4052265FR6PG7PF4WRefChem:908896DTXCID4030837227-806-72,6-Dimethyl-5,7-octadien-2-ol5,7-Octadien-2-ol, 2,6-dimethyl-5986-38-9SCHEMBL1113202,6-dimethylocta-5,7-dien-2-ol2,6-dimethyl -5,7-octadien-2-olDB-355337
Show more names
7-Octadien-2-ol, 2,6-dimethyl-5(5E)-2,6-dimethylocta-5,7-dien-2-ol
NS00013051
Database identifiers
- CAS
5986-38-9- PubChem CID
- 22303
- DTXSID
DTXSID4052265- EC Number
- 227-806-7
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 154
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Ocimenol) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 227.64 °C · 227.64°C (estimate)
- Density
- 0.8756 · 0.8756 (rough estimate)
- refractive index
- 1.4651 · 1.4651 (estimate)
- solubility
- Almost insoluble in water, soluble in alcohol and oils.
- form
- Colorless oily liquid.
- Odor
- 100 % · at 100.00 %. fresh citrus lemon lime cologne sweet mace
- Odor Type
- citrus
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.811 · 2.811 (est)
- FDA UNII
- 6 PG7PF4W · FR6PG7PF4W
- EPA Substance Registry System
- 5 · 5,7-Octadien-2-ol, 2,6-dimethyl- (5986-38-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 259 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 5,7-Octadien-2-ol, 2,6-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
5,7-Octadien-2-ol, 2,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 5,7-Octadien-2-ol, 2,6-dimethyl-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing Information5,7-Octadien-2-ol, 2,6-dimethyl-: ACTIVE
Applications
Uses2,6-dimethyl-5,7-octadien-2-ol gives much more interesting results in floral and green-floral fragrance types, Muguet, Lily, Narcisse, etc., and modern soap perfumes blending pleasantly with Lilial, Lyral, Cyclamal, Hydroxy - citronellal, etc. For the revived modern citrus-type cologne fragrance, this material offers new tonalities, freshness, and rich, cool notes that are unobtainable with natural citrus oils.
Suppliers
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Related reactions
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Compound notes
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