(2,4-Di-tert-pentylphenoxy)acetic acid - CAS 13402-96-5
Catalog: |
BB007860 |
Product Name: |
(2,4-Di-tert-pentylphenoxy)acetic acid |
CAS: |
13402-96-5 |
Synonyms: |
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetic acid |
IUPAC Name: | 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetic acid |
Description: | (2,4-Di-tert-pentylphenoxy)acetic acid (CAS# 13402-96-5 ) is a useful research chemical. |
Molecular Weight: | 292.41 |
Molecular Formula: | C18H28O3 |
Canonical SMILES: | CCC(C)(C)C1=CC(=C(C=C1)OCC(=O)O)C(C)(C)CC |
InChI: | InChI=1S/C18H28O3/c1-7-17(3,4)13-9-10-15(21-12-16(19)20)14(11-13)18(5,6)8-2/h9-11H,7-8,12H2,1-6H3,(H,19,20) |
InChI Key: | QXQMENSTZKYZCE-UHFFFAOYSA-N |
Boiling Point: | 391.1 ℃ at 760 mmHg |
Melting Point: | 125-127 ℃ |
Purity: | 95 % |
Density: | 1.004 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00128799 |
LogP: | 4.52520 |
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 |
US-2021189018-A1 | Hyaluronic acid derivatives | 20191220 |
WO-2021127375-A1 | Hyaluronic acid derivatives | 20191220 |
WO-2021119249-A1 | Cyclophilin d inhibitors and uses thereof | 20191210 |
US-2021147598-A1 | Functional oligomers and functional polymers including hydroxylated polymers and conjugates thereof and uses thereof | 20191115 |
WO-2021096591-A1 | Functional oligomers and functional polymers including hydroxylated polymers and conjugates thereof and uses thereof | 20191115 |
Complexity: | 346 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 292.20384475 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 292.20384475 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.1 |
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