CAS No.30293-86-8,(S)-(-)-2-ISOCYANATO-3-METHYLBUTYRIC ACID METHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	30293-86-8
Name:	(S)-(-)-2-ISOCYANATO-3-METHYLBUTYRIC ACID METHYL ESTER

Formula:	C₇H₁₁NO₃
Molecular Weight:	157.169
Synonyms:	Butanoic acid, 2-isocyanato-3-methyl-, methyl ester, (S)-;Butyric acid, 2-isocyanato-3-methyl-, methyl ester, L- (8CI);Methyl(S)-(-)-2-isocyanato-3-methylbutyrate;Methyl(S)-2-isocyanato-2-isopropylacetate;N-Carbonylvalinemethyl ester;
Density:	1.06 g/cm³
Boiling Point:	181.6 °C at 760 mmHg
Flash Point:	59.731 °C
Hazard Symbols:	Xn
Risk Codes:	20/21/22-36/37/38
Safety:	23-26-36
PSA:	55.73000
LogP:	0.51980

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Specification

The Butanoic acid, 2-isocyanato-3-methyl-, methyl ester, (2S)-, with the CAS registry number 30293-86-8, is also known as methyl N-(oxomethylene)valinate. It belongs to the product categories of Chiral Building Blocks; Isocyanates (Chiral); Synthetic Organic Chemistry; Chiral Building Blocks; Isocyanates; Organic Building Blocks. This chemical's molecular formula is C₇H₁₁NO₃ and molecular weight is 157.1671. Its IUPAC name is called methyl 2-isocyanato-3-methylbutanoate.

Physical properties of Butanoic acid, 2-isocyanato-3-methyl-, methyl ester, (2S)-: (1)ACD/LogP: 2.17; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 26; (5)ACD/BCF (pH 7.4): 26; (6)ACD/KOC (pH 5.5): 355; (7)ACD/KOC (pH 7.4): 355; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.457; (11)Molar Refractivity: 40.394 cm³; (12)Molar Volume: 148.29 cm³; (13)Surface Tension: 31.865 dyne/cm; (14)Density: 1.06 g/cm³; (15)Flash Point: 59.731 °C; (16)Enthalpy of Vaporization: 41.786 kJ/mol; (17)Boiling Point: 181.6 °C at 760 mmHg; (18)Vapour Pressure: 0.845 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. In addition, it is irritating to eyes, respiratory system and skin. You should not breathe its gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). In case of contact with eyes, you must rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)[C@@H](/N=C=O)C(C)C
(2)InChI: InChI=1/C7H11NO3/c1-5(2)6(8-4-9)7(10)11-3/h5-6H,1-3H3/t6-/m0/s1
(3)InChIKey: JCVZXXSBCISMLJ-LURJTMIEBK