Myrcenol
Basic information
- CAS
543-39-5- Standard SMILES
C=CC(=C)CCCC(C)(C)O- InChIKey
DUNCVNHORHNONW-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Overview
Myrcenol is a monoterpenoid that is oct-7-en-2-ol substituted by a methyl group at position 2 and a methylidene group at position 6 respectively. It has a role as a fragrance and a plant metabolite. It is a monoterpenoid and a tertiary alcohol.
Names & identifiers
- Preferred name
- Myrcenol
- IUPAC
- 2-methyl-6-methylideneoct-7-en-2-ol
- English name
- 7-OCTEN-2-OL, 2-METHYL-6-METHYLENE
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
Myrcenol543-39-52-methyl-6-methylideneoct-7-en-2-ol2-Methyl-6-methylene-7-octen-2-ol3-Methylene-7-methyl-1-octen-7-ol7-OCTEN-2-OL, 2-METHYL-6-METHYLENE-7-hydroxy-7-methyl-3-methylene-1-octene7-methyl-3-methylene-1-octen-7-olX4XS5MYJ20MYRCENOL 50DTXSID5027192CHEBI:87529
Show more names
MYCENOL52H MYRCENOLMYRCENOL 50 IN D.E.P.2-Methyl-6-methylenoct-7-en-2-ol2-methyl-6-methylene-7-octen-2-o
RefChem:160360DTXCID407192208-843-82-Methyl-6-methyleneoct-7-en-2-ol7-octen-2-ol,2-methyl-6-methylene7-octen-2-ol, 2-methyl-6-methyleneEINECS 208-843-8UNII-X4XS5MYJ20
Database identifiers
- CAS
543-39-5- PubChem CID
- 10975
- DTXSID
DTXSID5027192- ChEBI
CHEBI:87529- UNII
- X4XS5MYJ20
- EC Number
- 208-843-8
- Nikkaji
- J13.753G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 145
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Myrcenol) -> IFRA transparency List
Boiling Point99.00 to 100.00 °C. @ 10.00 mm Hg
Physicochemical properties
- Boiling point
- 217.64 °C · 217.64°C (rough estimate)
- Density
- 0.8389 · 0.8389 (rough estimate)
- refractive index
- 1.4666 · 1.4666 (estimate)
- solubility
- Practically insoluble in water, soluble in alcohol and oils.
- pka
- 15.3 · 15.30±0.29(Predicted)
- form
- viscous liquid
- Specific Gravity
- 0.89 · 0.89
- color
- Colorless
- Odor
- 100 % · at 100.00 %. fresh floral lavender citrus
- Odor Type
- floral
- Stability
- Tends to polymerize on standing, increases in viscosity, decreases in odor power
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
This chemical does not meet GHS hazard criteria for 85.2% (225 of 264) of all reports.
Warning
H315 (14.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 264 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 7-Octen-2-ol, 2-methyl-6-methylene-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: 2-methyl-6-methyleneoct-7-en-2-ol (EC: 208-843-8)
7-Octen-2-ol, 2-methyl-6-methylene-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 7-Octen-2-ol, 2-methyl-6-methylene-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (14.8%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing Information7-Octen-2-ol, 2-methyl-6-methylene-: ACTIVE
Applications
UsesMyrcenol is used in perfume compositions for “lift” and freshness in floral or citrusy and “light” compositions, including soap perfumes.
Preparation methods
PreparationBy chlorination of Myrcene, followed by hydrolysis.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: A monoterpenoid that is oct-7-en-2-ol substituted by a methyl group at position 2 and a methylidene group at position 6 respectively.
Related reactions
7 records
Compound notes
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