Basic information
- CAS
4747-07-3- Standard SMILES
CCCCCCOC- InChIKey
ICBJCVRQDSQPGI-UHFFFAOYSA-N- Molecular formula
- C7H16O
- Average molar mass
- 116.2 g/mol
- Monoisotopic mass
- 116.12011513
Overview
Methyl hexyl ether is an ether.
Names & identifiers
- Preferred name
- Hexyl methyl ether
- IUPAC
- 1-methoxyhexane
- English name
- N-HEXYL METHYL ETHER
- Molecular formula
- C7H16O
- Molecular weight
- 116.2
Names & synonyms
Hexyl methyl ether4747-07-3Methyl hexyl etherHexane, 1-methoxy-Methyl-n-Hexyl etherR99K6ANQ7TDIOLADTXSID3063594FEMA NO. 4291RefChem:157892DTXCID3040568225-263-0
Show more names
2-Oxaoctane1-methoxy-hexanHexylMethylEther>Ether, hexyl methylHexylmethylether,98%
1-MethoxyhexaneN-HEXYLMETHYLETHERn-Hexyl Methyl EtherEther, hexyl methyl1-Methoxy-HexaneMFCD00015350methoxyhexaneUNII-R99K6ANQ7T
Database identifiers
- CAS
4747-07-3- PubChem CID
- 78484
- DTXSID
DTXSID3063594- ChEBI
CHEBI:179171- UNII
- R99K6ANQ7T
- EC Number
- 225-263-0
- Nikkaji
- J121.677E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 35.4
Experimental & physicochemical properties
CosmeticsSolvent
SpringerMaterials PropertiesDensity
FragrancesFragrance Ingredient (1-Methoxyhexane) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.765-0.775
Flavoring AgentsEU Flavoring substances
Solubility
Practically insoluble to insoluble in water
Soluble (in ethanol)
Boiling Point126-127º
Refractive Index1.393-1.402
Physical DescriptionClear colourless liquid; pear, banana green tones upon dilution with sweet herbaceous lavender-like notes at higer concentration
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
Danger
H225 (11.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1610 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Hexane, 1-methoxy-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: 1-methoxyhexane (EC: 225-263-0)
Hexane, 1-methoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 2 (11.7%)
Safety data
- tsca
- TSCA listed
- ridadr
- 3271
- hs_code
- 29091990
- risk_code
- 10-22
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- hazard_code
- Xn
- safety_code
- 7-33-60
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Household ProductsInformation on 1 consumer products that contain Hexane, 1-methoxy- in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Cosmetics -> Solvent
General Manufacturing InformationHexane, 1-methoxy-: ACTIVE
Applications
OccurrenceReported to be found in Lavandin oil Abrialis (0.06%) and Lavandin oil Grosso (0.05%)
UsesApart from very occasional application in certain fresh topnotes, N-Hexyl methyl ether finds mostly its place in masking odors and industrial fragrances. Its peculiar type of green note has tempted some perfumers to use it in Jasmin and other florals, but it seems that competition from many new "green" materials is far too strong.
Suppliers40 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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