Hexanedioic acid, 3-methyl-, (3R)- supplier

Name
(+)-3-METHYLHEXANEDIOIC ACID
EINECS 210-816-0
CAS No. 623-82-5
Article Data28
CAS DataBase
Density 1.197 g/cm³
Solubility
Melting Point 81-84 °C(lit.)
Formula C₇H₁₂O₄
Boiling Point 341.4 °C at 760 mmHg
Molecular Weight 160.17
Flash Point 170.6 °C
Transport Information
Appearance white to light yellow powder
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Hexanedioicacid, 3-methyl-, (R)-;Hexanedioic acid, 3-methyl-, (R)-(+)- (8CI);(+)-3-Methyladipic acid;(R)-(+)-3-Methyladipic acid;(R)-3-Methyl-1,6-hexanedioic acid;(R)-3-Methyladipic acid;R-(+)-3-Methyladipic acid;
PSA 74.60000
LogP 0.96200

Hexanedioic acid, 3-methyl-, (3R)- Specification

This chemical is called Hexanedioic acid, 3-methyl-, (3R)-, and its CAS registry number is 160.17. With the molecular formula of C₇H₁₂O₄, its molecular weight is 160.17.

Other characteristics of the Hexanedioic acid, 3-methyl-, (3R)- can be summarised as followings: (1)ACD/LogP: 0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.24; (4)ACD/LogD (pH 7.4): -4.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 37.56 cm³; (15)Molar Volume: 133.7 cm³; (16)Polarizability: 14.89×10^-24cm³; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.197 g/cm³; (19)Flash Point: 170.6 °C; (20)Enthalpy of Vaporization: 64.29 kJ/mol; (21)Boiling Point: 341.4 °C at 760 mmHg; (22)Vapour Pressure: 1.47E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting 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)CC[C@H](CC(=O)O)C
2.InChI: InChI=1/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)/t5-/m1/s1
3.InChIKey: SYEOWUNSTUDKGM-RXMQYKEDBU

Product Name

(+)-3-METHYLHEXANEDIOIC ACID

Hexanedioic acid, 3-methyl-, (3R)- Specification

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