Basic information
- CAS
538-86-3- Standard SMILES
COCc1ccccc1- InChIKey
GQKZBCPTCWJTAS-UHFFFAOYSA-N- Molecular formula
- C8H10O
- Average molar mass
- 122.16 g/mol
- Monoisotopic mass
- 122.07316494
Overview
structure in first source
Names & identifiers
- Preferred name
- Benzyl methyl ether
- IUPAC
- methoxymethylbenzene
- English name
- Benzyl methyl ether
- Molecular formula
- C8H10O
- Molecular weight
- 122.16
Names & synonyms
BENZYL METHYL ETHER(methoxymethyl)benzene538-86-3METHOXYMETHYLBENZENEMethyl benzyl etherBenzene, (methoxymethyl)-alpha-MethoxytolueneF22RLS78BDNSC-8058DTXSID5060227RefChem:5596DTXCID0041511
Show more names
α-Methoxytolueneà-methoxytolueneMethylbenzylether
208-705-7Ether, benzyl methylMFCD00025901.alpha.-Methoxytoluenemethoxyphenylmethane(Methoxymethyl);benzeneFosaprepitant Impurity P1-(methoxymethyl)benzene
Database identifiers
- CAS
538-86-3- PubChem CID
- 10869
- DTXSID
DTXSID5060227- UNII
- F22RLS78BD
- EC Number
- 208-705-7
- Nikkaji
- J45.676D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 65
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
FragrancesFragrance Ingredient (Benzyl methyl ether) -> IFRA transparency List
LogP1.67
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Melting point
- -52.6 °C · -52.6 °C
- Boiling point
- 174 °C · 174 °C(lit.)
- Density
- 0.987 g/mL · 0.987 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.502(lit.)
- FLAVIS Number
- 3.011 · 03.011 | Benzyl methyl ether
- Flash point
- 53 °C · 53 °C
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- color
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1421 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzene, (methoxymethyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzene, (methoxymethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzene, (methoxymethyl)-: Environment tier I assessment
Peroxide Forming Chemical
Benzyl methyl ether
D: Other compounds that may form peroxides
Kelly
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3271 3/PG 3
- hs_code
- 29093090
- risk_code
- 10
- Signal word
- Warning
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing InformationBenzene, (methoxymethyl)-: ACTIVE
Applications
UsesBenzyl methyl ether is occasionally used in soap perfumes, industrial perfumes and masking odors, where power and low cost are essential.
UsesBenzyl methyl ether is used to produce benzaldehyde. It is used as perfuming agents.
Preparation methods
PreparationBenzyl methyl ether is produced from Benzyl chloride and Sodium methoxide in Methanol solution.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Related reactions
14 records
Compound notes
Loading…