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Hexanoic acid,6-mercapto-

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Name

Hexanoic acid,6-mercapto-

EINECS N/A
CAS No. 17689-17-7 Density 1.087 g/cm3
PSA 76.10000 LogP 1.56120
Solubility N/A Melting Point N/A
Formula C6H12O2S Boiling Point 273 °C at 760 mmHg
Molecular Weight 148.226 Flash Point 118.9 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 17689-17-7 (5-CARBOXY-1-PENTANETHIOL) Hazard Symbols IrritantXi
Synonyms

5-Carboxy-1-pentanethiol;5-Mercaptopentanecarboxylic acid;6-Mercaptocaproic acid;6-Mercaptohexanoicacid;NSC 310239;e-Mercaptocapronic acid;

Article Data 17

Hexanoic acid,6-mercapto- Specification

The Hexanoic acid,6-mercapto-, with the CAS registry number 17689-17-7, is also known as 6-Mercaptohexanoic acid. It belongs to the product categories of Self Assembly & Contact Printing; Self-Assembly Materials; Sulfur Compounds; Thiols/Mercaptans; ThiolsOrganic Building Blocks. This chemical's molecular formula is C6H12O2S and molecular weight is 148.22328. Its IUPAC name is called 6-sulfanylhexanoic acid.

Physical properties of Hexanoic acid,6-mercapto-: (1)ACD/LogP: 1.27; (2)ACD/LogD (pH 5.5): 0.44; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 17.19; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.488; (11)Molar Refractivity: 39.3 cm3; (12)Molar Volume: 136.2 cm3; (13)Surface Tension: 40.8 dyne/cm; (14)Density: 1.087 g/cm3; (15)Flash Point: 118.9 °C; (16)Enthalpy of Vaporization: 56.28 kJ/mol; (17)Boiling Point: 273 °C at 760 mmHg; (18)Vapour Pressure: 0.00163 mmHg at 25°C.

Uses of Hexanoic acid,6-mercapto-: it can be used to produce dl-2-(5-carboxypentylthio)-4-(tetrahydropyran-2-yloxy)-2-cyclopentenone with 4-(tetrahydro-pyran-2-yloxy)-6-oxa-bicyclo[3.1.0]hexan-2-one. This reaction will need reagent triethylamine and solvent methanol. The yield is about 33%.

Hexanoic acid,6-mercapto- can be used to produce dl-2-(5-carboxypentylthio)-4-(tetrahydropyran-2-yloxy)-2-cyclopentenone with 4-(tetrahydro-pyran-2-yloxy)-6-oxa-bicyclo[3.1.0]hexan-2-one

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(CCC(=O)O)CCS
(2)InChI: InChI=1S/C6H12O2S/c7-6(8)4-2-1-3-5-9/h9H,1-5H2,(H,7,8)
(3)InChIKey: CMNQZZPAVNBESS-UHFFFAOYSA-N

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