tert-Butyl 6-Hydroxyhexanoate supplier

Name
tert-Butyl 6-Hydroxyhexanoate
EINECS
CAS No. 73839-20-0
Article Data9
CAS DataBase
Density 0.967 g/cm³
Solubility
Melting Point
Formula C₁₀H₂₀O₃
Boiling Point 246.8 °C at 760 mmHg
Molecular Weight 188.267
Flash Point 90.8 °C
Transport Information
Appearance Colourless Liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms tert-Butyl6-hydroxyhexanoate;
PSA 46.53000
LogP 1.88080

tert-Butyl 6-Hydroxyhexanoate Specification

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

Product Name

tert-Butyl 6-Hydroxyhexanoate

tert-Butyl 6-Hydroxyhexanoate Specification

Related Products

Hot Products