3,5-Di-tert-butyl-4-hydroxybenzaldehyde hemihydrate - CAS 207226-32-2
Catalog: |
BB016222 |
Product Name: |
3,5-Di-tert-butyl-4-hydroxybenzaldehyde hemihydrate |
CAS: |
207226-32-2 |
Synonyms: |
3,5-ditert-butyl-4-hydroxybenzaldehyde;hydrate |
IUPAC Name: | 3,5-ditert-butyl-4-hydroxybenzaldehyde;hydrate |
Description: | 3,5-Di-tert-butyl-4-hydroxybenzaldehyde hemihydrate (CAS# 207226-32-2) is a useful research chemical. |
Molecular Weight: | 243.34 |
Molecular Formula: | C15H24O3 |
Canonical SMILES: | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=O.O |
InChI: | InChI=1S/C15H22O2.H2O/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6;/h7-9,17H,1-6H3;1H2 |
InChI Key: | VJKLMLCZIFQQHX-UHFFFAOYSA-N |
Melting Point: | 187-189 °C (lit.) |
Purity: | 95 % |
MDL: | MFCD09842265 |
LogP: | 3.73540 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3556756-A1 | Substituted propanamides as inhibitors of nucleases | 20180417 |
EP-3556756-B1 | Substituted propanamides as inhibitors of nucleases | 20180417 |
EP-3368589-A1 | Reactive antioxidants, antioxidant-containing prepolymers, and compositions thereof | 20151026 |
US-2017114208-A1 | Reactive antioxidants, antioxidant-containing prepolymers, and compositions thereof | 20151026 |
US-9777139-B2 | Reactive antioxidants, antioxidant-containing prepolymers, and compositions thereof | 20151026 |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 486.33452456 |
Formal Charge: | 0 |
Heavy Atom Count: | 35 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 486.33452456 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 75.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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