Octanoic acid,8-mercapto- supplier

Name
7-CARBOXY-1-HEPTANETHIOL
EINECS
CAS No. 74328-61-3
Article Data2
CAS DataBase
Density 1.041 g/cm³
Solubility
Melting Point
Formula C₈H₁₆O₂S
Boiling Point 302 °C at 760 mmHg
Molecular Weight 176.28
Flash Point 136.4 °C
Transport Information
Appearance
Safety 26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 8-Mercaptooctanoicacid;8-Thiooctanoic acid;
PSA 76.10000
LogP 2.34140

Octanoic acid,8-mercapto- Specification

The Octanoic acid,8-mercapto-, with CAS registry number 74328-61-3, has the systematic name of 8-sulfanyloctanoic acid. Besides this, it is also called 7-Carboxy-1-heptanethiol. And the chemical formula of this chemical is C₈H₁₆O₂S.

Physical properties of Octanoic acid,8-mercapto-: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): -0.26; (5)ACD/BCF (pH 5.5): 5.51; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 69.84; (8)ACD/KOC (pH 7.4): 1.12; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 51.6 Å²; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 48.57 cm³; (15)Molar Volume: 169.2 cm³; (16)Polarizability: 19.25×10^-24cm³; (17)Surface Tension: 39.4 dyne/cm; (18)Density: 1.041 g/cm³; (19)Flash Point: 136.4 °C; (20)Enthalpy of Vaporization: 59.64 kJ/mol; (21)Boiling Point: 302 °C at 760 mmHg; (22)Vapour Pressure: 0.000237 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Octanoic acid,8-mercapto- irritates to eyes, respiratory system and skin. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCCCCCS
(2)InChI: InChI=1/C8H16O2S/c9-8(10)6-4-2-1-3-5-7-11/h11H,1-7H2,(H,9,10)
(3)InChIKey: FYEMIKRWWMYBFG-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C8H16O2S/c9-8(10)6-4-2-1-3-5-7-11/h11H,1-7H2,(H,9,10)
(5)Std. InChIKey: FYEMIKRWWMYBFG-UHFFFAOYSA-N

Product Name

7-CARBOXY-1-HEPTANETHIOL

Octanoic acid,8-mercapto- Specification

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