2-Isobutoxybenzaldehyde - CAS 81995-32-6
Catalog: |
BB047124 |
Product Name: |
2-Isobutoxybenzaldehyde |
CAS: |
81995-32-6 |
Synonyms: |
Benzaldehyde, 2-(2-methylpropoxy)- |
IUPAC Name: | 2-(2-methylpropoxy)benzaldehyde |
Description: | 2-Isobutoxybenzaldehyde (CAS# 81995-32-6 ) is a useful research chemical. |
Molecular Weight: | 178.23 |
Molecular Formula: | C11H14O2 |
Canonical SMILES: | CC(C)COC1=CC=CC=C1C=O |
InChI: | InChI=1S/C11H14O2/c1-9(2)8-13-11-6-4-3-5-10(11)7-12/h3-7,9H,8H2,1-2H3 |
InChI Key: | XRBSUVTUCVHXRB-UHFFFAOYSA-N |
Boiling Point: | 274.4 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.018 g/cm3 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.099379685 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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