Dihydrolinalool
Basic information
- CAS
18479-51-1- Standard SMILES
CCC(C)(O)CCC=C(C)C- InChIKey
JRTBBCBDKSRRCY-UHFFFAOYSA-N- Molecular formula
- C10H20O
- Average molar mass
- 156.26 g/mol
- Monoisotopic mass
- 156.15141526
Overview
3,7-dimethyloct-6-en-3-ol is a monoterpene.
Names & identifiers
- Preferred name
- Dihydrolinalool
- IUPAC
- 3,7-dimethyloct-6-en-3-ol
- English name
- 3,7-Dimethyl-6-octen-3-ol
- Molecular formula
- C10H20O
- Molecular weight
- 156.27
Names & synonyms
Dihydrolinalool3,7-Dimethyloct-6-en-3-ol18479-51-13,7-Dimethyl-6-octen-3-ol6-Octen-3-ol, 3,7-dimethyl-DTXSID1044809VW0O7I863LJ208.378GDTXCID9024809RefChem:91898242-359-82270-57-7
Show more names
DihydrolinalolDihydrolinalool >Dihydrogen linalool3,7-dimethyl-6-octen-3-o2,6-Dimethyl-2-octen-6-ol
1,2-DihydrolinaloolMFCD00059140UNII-VW0O7I863Ldihydro linaloolEINECS 242-359-8AI3-24906SCHEMBL2148813,7-dimethyl-6-octene-3-ol
Database identifiers
- CAS
18479-51-1、2270-57-7- PubChem CID
- 86749
- DTXSID
DTXSID1044809- ChEMBL
CHEMBL3183324- ChEBI
CHEBI:232438- UNII
- VW0O7I863L
- EC Number
- 242-359-8
- Nikkaji
- J208.378G
Properties
Computed structural properties
- XLogP
- 3
- 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
- 134
Experimental & physicochemical properties
FragrancesFragrance Ingredient (3,7-Dimethyloct-6-en-3-ol) -> IFRA transparency List
Flavoring AgentsEU Flavoring substances
Physical DescriptionDry Powder; Liquid; Liquid
Physicochemical properties
- Melting point
- -4.05 °C · -4.05°C (estimate)
- Boiling point
- 200 °C · 200 °C
- Density
- 0.86 · 0.86
- vapor pressure
- 7 Pa · 7Pa at 20℃
- refractive index
- 1.4569 · 1.4569 (20℃)
- Flash point
- 178 °C · 178°C(lit.)
- storage temp.
- 2 · 2-8°C
- pka
- 15.32 · 15.32±0.29(Predicted)
- form
- Liquid
- color
- Colorless to Almost colorless
- Odor
- 100 % · at 100.00 %. bois de rose woody citrus blueberry weedy
- Odor Type
- floral
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.9 at · 2.9 at 23℃ and pH7
- Surface tension
- 27.126 mN/m · 27.126mN/m at 1.2g/L and 20℃
- CAS DataBase Reference
- 18479 · 18479-51-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 0 O7I863L · VW0O7I863L
- EPA Substance Registry System
- 6 · 6-Octen-3-ol, 3,7-dimethyl- (18479-51-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P302+P352-P362+P364
- TSCA
- TSCA listed
- HS Code
- 2905299090 · 2905299090
- REACH Registrations
- Active
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 92.3% (1514 of 1640) of all reports.
Not Classified
Aggregated GHS information provided per 1640 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 6-Octen-3-ol, 3,7-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
6-Octen-3-ol, 3,7-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 6-Octen-3-ol, 3,7-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 3,7-dimethyloct-6-en-3-ol (EC: 242-359-8)
6-Octen-3-ol, 3,7-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- hs_code
- 2905299090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P280-P302+P352-P362+P364
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 75,000 - <500,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 59 consumer products that contain 1,2-Dihydrolinalool in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
6-Octen-3-ol, 3,7-dimethyl-: ACTIVE
Applications
UsesDihydrolinalool, Dihydrolinalool is commonly used as a flavor ingredient in various products, including food, beverages, and perfumes, and it can also be used as a base material for the synthesis of various organic compounds, including pharmaceuticals and agrochemicals. In addition, due to Dihydrolinalool's low toxicity and Biodegradability, which has been studied for its potential use as a bio-based solvent, has also been studied for its potential antioxidant and anti-inflammatory properties, which may make it useful in the study of various diseases, including cancer and Alzheimer's disease. Alzheimer's disease.
Upstream & downstream products
Downstream products
Related reactions
3 records
Compound notes
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