CAS No.2914-69-4,(S)-(-)-3-Butyn-2-ol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2914-69-4
Name:	(S)-(-)-3-Butyn-2-ol
Article Data:	16

Formula:	C₄H₆O
Molecular Weight:	70.091
Synonyms:	(2S)-But-3-yn-2-ol;(2S)-3-Butyn-2-ol;
EINECS:	-0
Density:	0.92 g/cm³
Melting Point:	-22.07°C (estimate)
Boiling Point:	103.999 °C at 760 mmHg
Flash Point:	25.556 °C
Solubility:	Miscible with water.
Appearance:	clear colorless to yellow liquid
Hazard Symbols:	F,T+
Risk Codes:	11-26/27/28-36/37/38
Safety:	16-26-36/37/39-45-28A
Transport Information:	UN 2929 6.1/PG 2
PSA:	20.23000
LogP:	0.00040

Raw Materials

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Specification

The (S)-(-)-3-Butyn-2-ol, with the CAS registry number 2914-69-4, is also known as (2S)-But-3-yn-2-ol. It belongs to the product categories of Acetylenes; Acetylenic Alcohols & Their Derivatives; Chiral Building Blocks; Simple Alcohols (Chiral); Synthetic Organic Chemistry; Chiral Compound; Alcohols; Chiral Building Blocks; Organic Building Blocks. This chemical's molecular formula is C₄H₆O and molecular weight is 70.09. What's more, its systematic name is (2S)-3-Butyn-2-ol. This chemical should be sealed and stored in a cool and dry place.

Physical properties of (S)-(-)-3-Butyn-2-ol are: (1)ACD/LogP: -0.033; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.03; (4)ACD/LogD (pH 7.4): -0.03; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 22.85; (8)ACD/KOC (pH 7.4): 22.85; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.435; (14)Molar Refractivity: 19.902 cm³; (15)Molar Volume: 76.21 cm³; (16)Polarizability: 7.89×10^-24cm³; (17)Surface Tension: 34.28 dyne/cm; (18)Density: 0.92 g/cm³; (19)Flash Point: 25.556 °C; (20)Enthalpy of Vaporization: 39.99 kJ/mol; (21)Boiling Point: 103.999 °C at 760 mmHg ; (22)Vapour Pressure: 17.33 mmHg at 25°C.

Preparation: this chemical can be prepared by (S)-3-butyn-2-ol hydrogen phthalate at the ambient temperature. This reaction will need reagent NaOH and solvent H₂O with the reaction time of 2 hours. The yield is about 89%.

(S)-(-)-3-Butyn-2-ol can be prepared by (S)-3-butyn-2-ol hydrogen phthalate at the ambient temperature

Uses of (S)-(-)-3-Butyn-2-ol: it can be used to produce (S)-(-)-2-tert-butyldimethylsiloxybut-3-yne at the ambient temperature. It will need reagent imidazole and solvent dimethylformamide. The yield is about 94%.

(S)-(-)-3-Butyn-2-ol can be used to produce (S)-(-)-2-tert-butyldimethylsiloxybut-3-yne at the ambient temperature

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable, so you should keep it away from sources of ignition - No smoking. It is irritating to eyes, respiratory system and skin. This substance is very toxic by inhalation, in contact with skin and if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: C#C[C@@H](O)C
(2)Std. InChI: InChI=1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3/t4-/m0/s1
(3)Std. InChIKey: GKPOMITUDGXOSB-BYPYZUCNSA-N