3-(Methylthio)-1-hexanol - CAS 51755-66-9
Catalog: |
BB027571 |
Product Name: |
3-(Methylthio)-1-hexanol |
CAS: |
51755-66-9 |
Synonyms: |
3-methylsulfanylhexan-1-ol |
IUPAC Name: | 3-methylsulfanylhexan-1-ol |
Description: | 3-(Methylthio)-1-hexanol (CAS# 51755-66-9) is a useful research chemical. |
Molecular Weight: | 148.27 |
Molecular Formula: | C7H16OS |
Canonical SMILES: | CCCC(CCO)SC |
InChI: | InChI=1S/C7H16OS/c1-3-4-7(9-2)5-6-8/h7-8H,3-6H2,1-2H3 |
InChI Key: | JSASXSHMJYRPCM-UHFFFAOYSA-N |
Boiling Point: | 61-62 °C (10 mmHg) |
Density: | 0.966 g/cm3 |
Appearance: | Colourless liquid with sulfurous onion, Garlic green vegetable odour |
MDL: | MFCD00010674 |
LogP: | 1.90050 |
GHS Hazard Statement: | H315 (92.19%): 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 |
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EP-3900696-A1 | Encapsulated fragrance composition | 20200421 |
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PMID | Publication Date | Title | Journal |
21094391 | 20101217 | Optimization of ultrasound assisted-emulsification-dispersive liquid-liquid microextraction by experimental design methodologies for the determination of sulfur compounds in wines by gas chromatography-mass spectrometry | Analytica chimica acta |
Complexity: | 56.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.09218630 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.09218630 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 45.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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