CAS No.17689-17-7,5-CARBOXY-1-PENTANETHIOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	17689-17-7
Name:	5-CARBOXY-1-PENTANETHIOL
Article Data:	17

Formula:	C₆H₁₂O₂S
Molecular Weight:	148.226
Synonyms:	5-Carboxy-1-pentanethiol;5-Mercaptopentanecarboxylic acid;6-Mercaptocaproic acid;6-Mercaptohexanoicacid;NSC 310239;e-Mercaptocapronic acid;
Density:	1.087 g/cm³
Boiling Point:	273 °C at 760 mmHg
Flash Point:	118.9 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	76.10000
LogP:	1.56120

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- China (Mainland)(14)
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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