Basic information
- CAS
26445-85-2- Standard SMILES
COc1ccccc1-c1ccccc1- InChIKey
NLWCWEGVNJVLAX-UHFFFAOYSA-N- Molecular formula
- C13H12O
- Average molar mass
- 184.23 g/mol
- Monoisotopic mass
- 184.088815
Overview
volatile biomarker of Mycobacterium tuberculosis; structure in first source
Names & identifiers
- Preferred name
- 2-Methoxybiphenyl
- IUPAC
- 1-methoxy-2-phenylbenzene
- English name
- 2-METHOXYBIPHENYL
- Molecular formula
- C13H12O
- Molecular weight
- 184.23
Names & synonyms
2-Methoxybiphenyl86-26-02-Phenylanisoleo-Phenylanisole1,1'-Biphenyl, 2-methoxy-2-Methoxy-1,1'-biphenylBiphenyl-2-yl methyl etherNSC-2148DZF2F4KRH4DTXSID6052584RefChem:409184DTXCID3031157
Show more names
2-PHENYL-ANISOLo-phenyl-anisolo-Anisylbenzeneo-MehoxybiphenylO-METHOXYDIPHENYLO-METHOXYBIPHENYL
201-659-91-methoxy-2-phenylbenzeneAnisole, o-phenyl-Methyl diphenyl etherMFCD00008367292625-97-926445-85-2o-Phenyl anisole
Database identifiers
- CAS
26445-85-2、86-26-0- PubChem CID
- 6835
- DTXSID
DTXSID6052584- ChEMBL
CHEMBL3813993- UNII
- DZF2F4KRH4
- EC Number
- 201-659-9
- Nikkaji
- J33.860E
Properties
Computed structural properties
- XLogP
- 3.2
- 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
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (o-Phenyl anisole) -> IFRA transparency List
Physicochemical properties
- Melting point
- 30 · 30-33 °C(lit.)
- Boiling point
- 274 °C · 274 °C(lit.)
- Density
- 1.023 g/mL · 1.023 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.61(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to lump to clear liquid
- Specific Gravity
- 1.023 · 1.023
- color
- Prisms from pet ether
- Odor
- 100 % · at 100.00 %. rose fruity
- Odor Type
- floral
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
This chemical does not meet GHS hazard criteria for 100% (1375 of 1375) of all reports.
Not Classified
Aggregated GHS information provided per 1375 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1,1'-Biphenyl, 2-methoxy-
1,1'-Biphenyl, 2-methoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- BZ8835000
- hs_code
- 2909309090
- Toxicity
- LD50 orl-rat: 3600 mg/kg FCTXAV 13,681,75
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing Information1,1'-Biphenyl, 2-methoxy-: ACTIVE
Applications
Uses2-Methoxybiphenyl is used as chemical and organic intermediates.
Upstream & downstream products
Upstream raw materials
Suppliers68 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
Related reactions
14 records
Compound notes
Loading…