Methyl 6-Hydroxyhexanoate - CAS 4547-43-7
Catalog: |
BB025886 |
Product Name: |
Methyl 6-Hydroxyhexanoate |
CAS: |
4547-43-7 |
Synonyms: |
6-hydroxyhexanoic acid methyl ester; methyl 6-hydroxyhexanoate |
IUPAC Name: | methyl 6-hydroxyhexanoate |
Description: | Methyl 6-Hydroxyhexanoate can be used for odor masking compositions containing fragrant substances for hair cosmetics. |
Molecular Weight: | 146.18 |
Molecular Formula: | C7H14O3 |
Canonical SMILES: | COC(=O)CCCCCO |
InChI: | InChI=1S/C7H14O3/c1-10-7(9)5-3-2-4-6-8/h8H,2-6H2,1H3 |
InChI Key: | YDJZXHZRXDLCEH-UHFFFAOYSA-N |
Boiling Point: | 199.6 °C at 760 mmHg |
Density: | 1.007 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD00083576 |
LogP: | 0.71210 |
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 |
CN-112851623-A | Method for preparing epsilon-caprolactone, 6-hydroxycaproic acid and ester thereof by using tetrahydrofurfuryl acetic acid and ester thereof | 20210309 |
CN-112898264-A | Method for preparing epsilon-caprolactone, 6-hydroxycaproic acid and esters thereof by using furan acetic acid and esters thereof | 20210309 |
CN-112142966-A | Synthesis method of poly-6-hydroxyhexanoate | 20200826 |
CN-111995612-A | Synthesis method of caprolactone | 20200824 |
CN-112062747-A | Preparation method of caprolactone | 20200820 |
Complexity: | 90.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.094294304 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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