Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
tert-Butyl 6-Hydroxyhexanoate |
EINECS | N/A |
CAS No. | 73839-20-0 | Density | 0.967 g/cm3 |
PSA | 46.53000 | LogP | 1.88080 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H20O3 | Boiling Point | 246.8 °C at 760 mmHg |
Molecular Weight | 188.267 | Flash Point | 90.8 °C |
Transport Information | N/A | Appearance | Colourless Liquid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
tert-Butyl6-hydroxyhexanoate; |
Article Data | 9 |
The systematic name of this chemical is tert-butyl 6-hydroxyhexanoate. With the CAS registry number 73839-20-0, it is also named as Hexanoic acid,6-hydroxy-, 1,1-dimethylethyl ester. The product's categories are All Aliphatics; Aliphatics. In addition, the molecular formula is C10H20O3.
The other characteristics of tert-Butyl 6-Hydroxyhexanoate can be summarized as: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.52; (4)ACD/LogD (pH 7.4): 1.52; (5)ACD/BCF (pH 5.5): 8.49; (6)ACD/BCF (pH 7.4): 8.49; (7)ACD/KOC (pH 5.5): 160.91; (8)ACD/KOC (pH 7.4): 160.91; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 46.53 Å2; (13)Index of Refraction: 1.443; (14)Molar Refractivity: 51.65 cm3; (15)Molar Volume: 194.6 cm3; (16)Polarizability: 20.47×10-24 cm3; (17)Surface Tension: 33 dyne/cm; (18)Density: 0.967 g/cm3; (19)Flash Point: 90.8 °C; (20)Enthalpy of Vaporization: 56.23 kJ/mol; (21)Boiling Point: 246.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00436 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:CC(C)(C)OC(=O)CCCCCO
2. InChI:InChI=1/C10H20O3/c1-10(2,3)13-9(12)7-5-4-6-8-11/h11H,4-8H2,1-3H3
3. InChIKey:AKNVIQFNWMMKEE-UHFFFAOYAL
4. Std. InChI:InChI=1S/C10H20O3/c1-10(2,3)13-9(12)7-5-4-6-8-11/h11H,4-8H2,1-3H3
5. Std. InChIKey:AKNVIQFNWMMKEE-UHFFFAOYSA-N