4-Hexen-1-ol, predominantly trans - CAS 928-92-7
Catalog: |
BB040701 |
Product Name: |
4-Hexen-1-ol, predominantly trans |
CAS: |
928-92-7 |
Synonyms: |
(E)-hex-4-en-1-ol |
IUPAC Name: | (E)-hex-4-en-1-ol |
Description: | (4E)-4-Hexen-1-ol can be used to determine the effect of aroma component of date pulp in heated treatment. It can also be used to prevent or treat diabetes mellitus especially in type 2. |
Molecular Weight: | 100.16 |
Molecular Formula: | C6H12O |
Canonical SMILES: | CC=CCCCO |
InChI: | InChI=1S/C6H12O/c1-2-3-4-5-6-7/h2-3,7H,4-6H2,1H3/b3-2+ |
InChI Key: | VTIODUHBZHNXFP-NSCUHMNNSA-N |
Boiling Point: | 158.5 °C at 760 mmHg |
Purity: | 95 % |
Density: | 0.851 g/cm3 |
Appearance: | Colorless liquid |
Storage: | Keep tightly closed. Keep away from heat and open flame. Store in a cool dry place. |
LogP: | 1.33500 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021123144-A1 | Pro-perfume compositions | 20191220 |
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PMID | Publication Date | Title | Journal |
15719685 | 20040201 | [Studies on the chemical constituents of the volatiles of Clerodendron bungei] | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica |
Complexity: | 48.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 100.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 100.088815002 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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