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19721-22-3

Basic Information
CAS No.: 19721-22-3
Name: 1-Propanol, 3-mercapto-
Molecular Structure:
Molecular Structure of 19721-22-3 (1-Propanol, 3-mercapto-)
Formula: C3H8OS
Molecular Weight: 92.16
Synonyms: 1-Mercapto-3-propanol;3-Hydroxypropanethiol;3-Hydroxypropyl mercaptan;3-Mercapto-1-propanol;3-Mercaptopropanol;NSC 46437;
EINECS: 264-572-5
Density: 1.028 g/cm3
Melting Point:
Boiling Point: 186.2 °C at 760 mmHg
Flash Point: 66.4 °C
Solubility:
Appearance: Clear colorless liquid
Hazard Symbols: ToxicT
Risk Codes: 24/25
Safety: 28-36/37-45
Transport Information: UN 2810 6.1/PG 3
PSA: 59.03000
LogP: 0.29860
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  • 3-Mercapto-1-propanol

  • Casno:

    19721-22-3

    3-Mercapto-1-propanol

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    Located in Hangzhou (a famous scenic tourist city of China), Hangzhou TJM Chemical Co., Ltd is an international trade company specializing in the research, development, consultatio

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  • 1-Propanol, 3-mercapto-

  • Casno:

    19721-22-3

    1-Propanol, 3-mercapto-

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    YUYONGMEI was established in Aug,1999, located in the industrial park of Nanjing University of Technology, It is a private enterprises in Jiangsu Province with 1200 square meters’ R&D center. Our R&D center has a well-equipped synthetic laboratory a

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  • 3-MERCAPTO-1-PROPANOL

  • Casno:

    19721-22-3

    3-MERCAPTO-1-PROPANOL

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    high purity Application:Drug intermediates Materials intermediates and active molecules

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Specification

The CAS register number of 3-Mercapto-1-propanol is 19721-22-3. It also can be called as 1-Propanol, 3-mercapto- and the IUPAC name about this chemical is 3-sulfanylpropan-1-ol. The molecular formula about this chemical is C3H8OS and the molecular weight is 92.16. It belongs to the following product categories, such as Self Assembly&Contact Printing; Self-Assembly Materials; Sulfur Compounds; Thiols/Mercaptans; ThiolsOrganic Building Blocks and so on.

Physical properties about 3-Mercapto-1-propanol are: (1)ACD/LogP: 0.23; (2)ACD/LogD (pH 5.5): 0.23; (3)ACD/LogD (pH 7.4): 0.23; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 31.91; (7)ACD/KOC (pH 7.4): 31.86; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 34.53Å2; (12)Index of Refraction: 1.478; (13)Molar Refractivity: 25.37 cm3; (14)Molar Volume: 89.6 cm3; (15)Polarizability: 10.06x10-24cm3; (16)Surface Tension: 36.3 dyne/cm; (17)Enthalpy of Vaporization: 49.17 kJ/mol; (18)Boiling Point: 186.2 °C at 760 mmHg; (19)Vapour Pressure: 0.188 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-mercapto-propionic acid ethyl ester. This reaction will need reagent LiAlH4 and solventtetrahydrofuran. The reaction time is 18 hour(s) with ambient temperature. The yield is about 84%.

Uses of 3-Mercapto-1-propanol: it can be used to produce 2-(2-pyridyl)-1,3-oxathiane with pyridine-2-carbaldehyde at heating. This reaction will need reagent p-TsOH*H2O and solvent 1,2-dichloro-ethane with reaction time of 20 hours. The yield is about 80%.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed and it is toxic in contact with skin. When you are using it, wear suitable protective clothing and gloves. After contact with skin, wash immediately with plenty of soap-suds. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: OCCCS
(2)InChI: InChI=1/C3H8OS/c4-2-1-3-5/h4-5H,1-3H2
(3)InChIKey: SHLSSLVZXJBVHE-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C3H8OS/c4-2-1-3-5/h4-5H,1-3H2
(5)Std. InChIKey: SHLSSLVZXJBVHE-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 372mg/kg (372mg/kg) GASTROINTESTINAL: OTHER CHANGES

LIVER: OTHER CHANGES

SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"
National Technical Information Service. Vol. OTS0546571,
rat LD50 oral 116mg/kg (116mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0546571,