Basic information
- CAS
4013-34-7- Standard SMILES
COC(C)c1ccccc1- InChIKey
PLKSMSKTENNPEJ-UHFFFAOYSA-N- Molecular formula
- C9H12O
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.088815
Names & identifiers
- Preferred name
- (1-Methoxyethyl)benzene
- IUPAC
- 1-methoxyethylbenzene
- English name
- 1-Methoxy-1-phenylethane
- Molecular formula
- C9H12O
- Molecular weight
- 136.19
Names & synonyms
(1-METHOXYETHYL)BENZENE1-Methoxy-1-phenylethaneBenzene, (1-methoxyethyl)-Ether, methyl .alpha.-methylbenzyl1-Phenylethyl methyl etherMethyl .alpha.-phenethyl ether.alpha.-Methylbenzyl methyl etherDTXSID00873039RefChem:68132Methyl alpha-phenethyl etheralpha-Methylbenzyl methyl etherEther, methyl alpha-methylbenzyl
Show more names
1-Phenylethylmethyl etherMethyl 1-phenylethyl etherMethyl(1-phenylethyl) etherα-Methylbenzyl Methyl etherMethyl(α-methylbenzyl) ether
PLKSMSKTENNPEJ-UHFFFAOYSA-N1-methoxyethylbenzene4013-34-7NSC37489PhCH(OCH3)Me1-methoxy-ethyl-benzeneSCHEMBL27238SCHEMBL57509
Database identifiers
- CAS
4013-34-7- PubChem CID
- 19913
- DTXSID
DTXSID00873039- Nikkaji
- J101.204E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 84.7
Physicochemical properties
- Melting point
- 173 · 173-175 °C
- Boiling point
- 86 · 86-87 °C(Press: 25 Torr)
- Density
- 0.9401 g/cm3 · 0.9401 g/cm3
- EPA Substance Registry System
- (1-Methoxyethyl)benzene (4013-34-7)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, (1-methoxyethyl)-: INACTIVE
Suppliers2 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
Related reactions
2 records
Compound notes
Loading…