3,7-Dimethyl-1-octanol
Completing data — refresh the page later to see the latest
Basic information
- CAS
106-21-8- Standard SMILES
CC(C)CCCC(C)CCO- InChIKey
PRNCMAKCNVRZFX-UHFFFAOYSA-N- Molecular formula
- C10H22O
- Average molar mass
- 158.28 g/mol
- Monoisotopic mass
- 158.16706532
Overview
(R)-Dihydrocitronellol is an aliphatic alcohol.
Names & identifiers
- Preferred name
- 3,7-Dimethyl-1-octanol
- IUPAC
- 3,7-dimethyloctan-1-ol
- English name
- 3,7-Dimethyl-1-octanol
- Molecular formula
- C10H22O
- Molecular weight
- 158.28
Names & synonyms
3,7-Dimethyloctan-1-ol3,7-Dimethyl-1-octanol106-21-8TetrahydrogeraniolDihydrocitronellolGeraniol tetrahydride1-OCTANOL, 3,7-DIMETHYL-Dimethyl octanolGeraniol, perhydro-FEMA No. 2391DTXSID5044360DPY9K1927C
Show more names
FEMA 23913,7-dimethyl-octan-1-olPeralgolNSC 18917
NSC-18917DTXCID3024360RefChem:587712203-374-5DimethyloctanolPelargolPerhydrogeraniol2,6-Dimethyl-8-octanol
Database identifiers
- CAS
106-21-8、1117-60-8、1333-49-9、68680-98-8- PubChem CID
- 7792
- DTXSID
DTXSID5044360- ChEMBL
CHEMBL3181881- ChEBI
CHEBI:195928- UNII
- DPY9K1927C
- EC Number
- 203-374-5、215-593-3
- Nikkaji
- J37.634E
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 78.9
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
FragrancesFragrance Ingredient (3,7-Dimethyl-1-octanol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.826-0.842
Flavoring AgentsEU Flavoring substances
Solubility
soluble in most fixed oils and propylene glycol; insoluble in glycerol
1 ml in 3 ml 70% alcohol (in ethanol)
Boiling Point213 °C
Refractive Index1.435-1.445
Physical Description
Liquid
colourless liquid with a sweet, rose-like odour
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 3.5% (63 of 1818) of reports.
Warning
H315 (96.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1818 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1-Octanol, 3,7-dimethyl-
Chemical: 1-Octanol, dimethyl-
Regulation (EC) No 1831/2003 (amended)
1-Octanol, 3,7-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Octanol, 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)
Status: Active Update: 25-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11720
Tetrahydrogeraniol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety Information
Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesSkin Irrit. 2 (96.5%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
U.S. Production2023: <75,000 lb
Consumer UsesFragrance
Industry UsesOther
Household ProductsInformation on 15 consumer products that contain Dihydrocitronellol in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
1-Octanol, 3,7-dimethyl-: ACTIVE
1-Octanol, dimethyl-: ACTIVE
Applications
Uses3,7-Dimethyl-1-octanol was employed as medium supplement in the anaerobic enrichment cultures of Pseudomonas citronellolis.2
General Description3,7-Dimethyl-1-octanol is an fragrance ingredient and its toxicologic and dermatologic review as a fragrance ingredient was reported.
Preparation methods
PreparationUsually prepared by hydrogenation of geraniol, citronellol or citronellal.
Upstream & downstream products
Related reactions
22 records
Compound notes
Loading…