3-Phenoxytoluene (HCID 19165)

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 properties

XLogP: 3.7
Topological polar surface area: 9.2 Å²
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: 3586 · 3586-14-9(CAS DataBase Reference)
FDA UNII: 2 ZZI1Z67WR · 2ZZI1Z67WR
EPA Substance Registry System: m-Phenoxytoluene (3586-14-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 9 · GHS09
Signal word: Warning
Hazard statements: 411 · H411
Precautionary statements: 273 · P273-P391-P501
PPE: Eyeshields, Gloves
Safety Statements: 23 · 23-24/25
RIDADR: 3082 · UN 3082 9/PG III
WGK Germany: 2 · 2
RTECS: 6142000 · DA6142000
TSCA: TSCA listed
HazardClass: 9 · 9
PackingGroup: III
HS Code: 29093090 · 29093090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 · Aquatic Chronic 2

Safety & regulation

GHS classification

GHS Classification · 3 items

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 · 2 items

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
Hazard Classifications: Aquatic Chronic 2
Precautionary statements: P273-P391-P501

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).