3-Phenoxytoluene
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Basic information
- CAS
3586-14-9- Standard SMILES
Cc1cccc(Oc2ccccc2)c1- InChIKey
UDONPJKEOAWFGI-UHFFFAOYSA-N- Molecular formula
- C13H12O
- Average molar mass
- 184.23 g/mol
- Monoisotopic mass
- 184.088815
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3-Phenoxytoluene
- IUPAC
- 1-methyl-3-phenoxybenzene
- English name
- 3-Phenoxytoluene
- Molecular formula
- C13H12O
- Molecular weight
- 184.23
Names & synonyms
3-Phenoxytoluene1-Methyl-3-phenoxybenzene3586-14-9m-Phenoxytoluene3-Methyldiphenyl etherPhenyl m-tolyl etherBENZENE, 1-METHYL-3-PHENOXY-m-Methylphenyl phenyl ether3-Methylphenyl phenyl etherDTXSID80275372ZZI1Z67WRDTXCID407537
Show more names
C13H12O3-Phenoxytoluolphenylm-tolyl-etheMETA-PHENOXYTOLUENE3-Phenoxytoluene>PHENYL M-TOLYL ETHERPHENYL-3-TOLYL ETHER
RefChem:434240222-716-4Ether, phenyl m-tolylMFCD000085311-methyl-3-phenoxy-benzeneEther, phenyl m-tolyl-Permethrin EP Impurity AEINECS 222-716-4
Database identifiers
- CAS
3586-14-9- PubChem CID
- 19165
- DTXSID
DTXSID8027537- ChEMBL
CHEMBL3188057- UNII
- 2ZZI1Z67WR
- EC Number
- 222-716-4
- Nikkaji
- J60.132B
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 160 °C · 160 °C
- Boiling point
- 271 · 271-273 °C (lit.)
- Density
- 1.051 g/mL · 1.051 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.573(lit.)
- Flash point
- 110 °C · >110°C
- storage temp.
- Sealed in dry,Room Temperature
- form
- Liquid
- color
- Clear very slightly yellow
- Odor
- 10 % · at 10.00 % in dipropylene glycol. floral rose geranium
- Odor Type
- fruity
- BRN
- 2045714 · 2045714
- InChI
- 1S/C13H12O/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10H,1H3
- InChIKey
- UDONPJKEOAWFGI-UHFFFAOYSA-N
- SMILES
- Cc1cccc(Oc2ccccc2)c1
- LogP
- 5.043 · 5.043 (est)
- CAS DataBase Reference
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
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzene, 1-methyl-3-phenoxy-
Benzene, 1-methyl-3-phenoxy-: 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 CategoriesAquatic Chronic 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- DA6142000
- ridadr
- UN 3082 9/PG III
- hs_code
- 29093090
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- safety_code
- 23-24/25
- hazard_class
- 9
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- Hazard statements
- H411
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-methyl-3-phenoxy-: ACTIVE
Applications
Usesm-Phenoxytoluene, is a Diaryl ethers, which are important intermediate of the pesticides, and are widely used in synthesis of insecticides such as pyrethroids, and fungicides such as Difenoconazole (D445370).
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
27 records
Compound notes
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