2-(Propan-2-yloxy)benzaldehyde
Basic information
- CAS
22921-58-0- Standard SMILES
CC(C)Oc1ccccc1C=O- InChIKey
ZZJVNPRHHLLANO-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- 2-(Propan-2-yloxy)benzaldehyde
- IUPAC
- 2-propan-2-yloxybenzaldehyde
- English name
- 2-iso-Propoxybenzaldehyde
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
2-(propan-2-yloxy)benzaldehydeRefChem:462035672-090-52-isopropoxybenzaldehyde22921-58-02-propan-2-yloxybenzaldehyde2-iso-propoxybenzaldehydeBenzaldehyde, 2-(1-methylethoxy)-2-Isopropoxy-benzaldehydeMFCD01571834IsopropylsalicylaldehydAKOS000249698
Show more names
2-Isopropoxybenzalde2-(1-Methylethoxy)-benzaldehyde2-isopropoxybenzaldehyde(SALTDATA: FREE)
NS-01303SY078847CS-00374782-(methylethoxy)benzaldehydeo-isoproBenzaldehyde,2-(1-methylethoxy)-NSC69073o-isopropoxybenzaldehyde
Database identifiers
- CAS
22921-58-0- PubChem CID
- 250078
- DTXSID
DTXSID10290511- EC Number
- 672-090-5
- Nikkaji
- J433.142G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Boiling point
- 72 · 72-73 °C(Press: 0.3 Torr)
- Density
- 1.036 · 1.036±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- liquid
- color
- Yellow
- InChI
- InChI=1S/C10H12O2/c1-8(2)12-10-6-4-3-5-9(10)7-11/h3-8H,1-2H3
- InChIKey
- ZZJVNPRHHLLANO-UHFFFAOYSA-N
- SMILES
- C(=O)C1=CC=CC=C1OC(C)C
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT
- HS Code
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
H315 (13.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (13.3%)
Safety data
- wgk
- WGK 3
- hs_code
- 2912490090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Sens. 1
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses2-Isopropoxybenzaldehyde is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.
Upstream & downstream products
Downstream products
Related reactions
10 records
Compound notes
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