ChemicalBook--->CAS DataBase List--->4547-43-7

4547-43-7

4547-43-7 Structure

4547-43-7 Structure
IdentificationBack Directory
[Name]

6-HYDROXYHEXANOIC ACID METHYL ESTER
[CAS]

4547-43-7
[Synonyms]

methyl 6-hydroxycaproate
Methyl 6-hydroxyhexanoate
6-Hydroxycaproic acid methyl ester
6-HYDROXYHEXANOIC ACID METHYL ESTER
Methyl hexanoate, 6-hydroxy-hexanoate
Hexanoic acid, 6-hydroxy-, methyl ester
[Molecular Formula]

C7H14O3
[MDL Number]

MFCD00083576
[MOL File]

4547-43-7.mol
[Molecular Weight]

146.18
Chemical PropertiesBack Directory
[Melting point ]

123-124 °C(Solv: benzene (71-43-2); cyclohexane (110-82-7); acetone (67-64-1))
[Boiling point ]

123 °C(Press: 12 Torr)
[density ]

1.0214 g/cm3
[storage temp. ]

Sealed in dry,Store in freezer, under -20°C
[solubility ]

Chloroform (Slightly), DMSO (Slightly)
[form ]

Oil
[pka]

15.12±0.10(Predicted)
[color ]

Colourless
[InChI]

InChI=1S/C7H14O3/c1-10-7(9)5-3-2-4-6-8/h8H,2-6H2,1H3
[InChIKey]

YDJZXHZRXDLCEH-UHFFFAOYSA-N
[SMILES]

C(OC)(=O)CCCCCO
[LogP]

0.300 (est)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P
Hazard InformationBack Directory
[Uses]

Methyl 6-Hydroxyhexanoate can be used for odor masking compositions containing fragrant substances for hair cosmetics.
[Synthesis Reference(s)]

Synthetic Communications, 24, p. 2743, 1994 DOI: 10.1080/00397919408010590
Tetrahedron Letters, 22, p. 815, 1981 DOI: 10.1016/0040-4039(81)80004-4
Spectrum DetailBack Directory
[Spectrum Detail]

6-HYDROXYHEXANOIC ACID METHYL ESTER(4547-43-7)1HNMR
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