4-tert-Butylcyclohexyl acetate, mixture of cis and trans - CAS 32210-23-4
Catalog: |
BB021227 |
Product Name: |
4-tert-Butylcyclohexyl acetate, mixture of cis and trans |
CAS: |
32210-23-4 |
Synonyms: |
(4-tert-butylcyclohexyl) acetate |
IUPAC Name: | (4-tert-butylcyclohexyl) acetate |
Description: | 4-tert-Butylcyclohexyl acetate, mixture of cis and trans (CAS# 32210-23-4 ) is a useful research chemical. |
Molecular Weight: | 198.30 |
Molecular Formula: | C12H22O2 |
Canonical SMILES: | CC(=O)OC1CCC(CC1)C(C)(C)C |
InChI: | InChI=1S/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3 |
InChI Key: | MBZRJSQZCBXRGK-UHFFFAOYSA-N |
Boiling Point: | 228-230 °C (25 mmHg) |
Melting Point: | 228 - 230°C |
Flash Point: | 212 °F |
Density: | 0.935 g/cm3 |
Solubility: | water, 3.552 mg/L @ 25 °C (est) |
Appearance: | Clear, colorless liquid |
MDL: | MFCD00019354 |
LogP: | 3.15440 |
Refractive Index: | 1.452 |
Stability: | Stable. Flammable. Incompatible with strong oxidizing agents. |
GHS Hazard Statement: | H317 (78.31%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
27633901 | 20161201 | Screening of endocrine activity of compounds migrating from plastic baby bottles using a multi-receptor panel of in vitro bioassays | Toxicology in vitro : an international journal published in association with BIBRA |
23064702 | 20120901 | Evaluation of the developmental toxicity of 4-tert-butylcyclohexyl acetate in Sprague-Dawley rats | International journal of toxicology |
20170720 | 20100531 | High loading fragrance encapsulation based on a polymer-blend: preparation and release behavior | International journal of pharmaceutics |
18842248 | 20081201 | Fragrance material review on 4-tert-butylcyclohexyl acetate | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.161979940 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.161979940 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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