4-tert-Butylbenzyl alcohol - CAS 877-65-6
Catalog: |
BB038626 |
Product Name: |
4-tert-Butylbenzyl alcohol |
CAS: |
877-65-6 |
Synonyms: |
(4-tert-butylphenyl)methanol |
IUPAC Name: | (4-tert-butylphenyl)methanol |
Description: | 4-tert-Butylbenzyl alcohol (CAS# 877-65-6) is a useful research chemical. |
Molecular Weight: | 164.24 |
Molecular Formula: | C11H16O |
Canonical SMILES: | CC(C)(C)C1=CC=C(C=C1)CO |
InChI: | InChI=1S/C11H16O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3 |
InChI Key: | FVEINXLJOJPHLH-UHFFFAOYSA-N |
Boiling Point: | 140 °C (20 mmHg) |
Purity: | 98 % |
Density: | 0.928 g/cm3 |
MDL: | MFCD00004662 |
LogP: | 2.47640 |
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 |
CN-112300085-A | Alkenyl method of methyl heterocyclic compound | 20201117 |
CN-113493388-A | Synthesis method of butenafine hydrochloride | 20200408 |
JP-2021095368-A | Dithioester compound | 20191218 |
US-2021188780-A1 | Dithioester compound | 20191218 |
US-2021174983-A1 | Compositions for the filling of high aspect ratio vertical interconnect access (via) holes | 20191204 |
PMID | Publication Date | Title | Journal |
17623293 | 20070101 | Partial oxidation of 4-tert-butyltoluene catalyzed by homogeneous cobalt and cerium acetate catalysts in the Br-/H2O2/acetic acid system: insights into selectivity and mechanism | Chemistry (Weinheim an der Bergstrasse, Germany) |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.120115130 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.120115130 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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