Octanoic acid,2-naphthalenyl ester supplier

Name
2-NAPHTHYL CAPRYLATE
EINECS 233-591-0
CAS No. 10251-17-9
Article Data2
CAS DataBase
Density 1.039 g/cm³
Solubility
Melting Point
Formula C₁₈H₂₂O₂
Boiling Point 394.2 °C at 760 mmHg
Molecular Weight 270.371
Flash Point 130.3 °C
Transport Information
Appearance White to off-white crystalline powder
Safety 36/37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols
Synonyms Octanoicacid, 2-naphthyl ester (6CI,7CI);2-Naphthyl octanoate;NSC 60371;b-Naphthyl caprylate;b-Naphthyl octanoate;Naphthalen-2-yl octanoate;
PSA 26.30000
LogP 5.10570

Synthetic route

: 124-07-2
Octanoic acid

: 135-19-3
β-naphthol

: 10251-17-9
naphthalen-2-yl octanoate

Conditions

Conditions	Yield
Stage #1: Octanoic acid With (E)-ethyl 2-cyano-2-(2-nitrophenylsulfonyloxyimino)acetate; N-ethyl-N,N-diisopropylamine In dichloromethane at 25℃; Stage #2: β-naphthol In dichloromethane at 25℃; for 3h;	91%

: 10251-17-9
naphthalen-2-yl octanoate

: 95455-13-3
1-(2-hydroxy-[1]naphthyl)-octan-1-one

Conditions

Conditions	Yield
With aluminium trichloride

Octanoic acid,2-naphthalenyl ester Specification

The Octanoic acid,2-naphthalenyl ester, with the CAS registry number 10251-17-9, is also known as 2-Naphthyl octanoate. This chemical's molecular formula is C₁₈H₂₂O₂ and molecular weight is 270.37. What's more, its systematic name is Naphthalen-2-yl octanoate and its EINECS number is 233-591-0. In addition, it belongs to the product category of Substrates. The product should be sealed and stored in cool and dry places at the temperature of 2-10 °C.

Physical properties of Octanoic acid,2-naphthalenyl ester are: (1)ACD/LogP: 5.97; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.97; (4)ACD/LogD (pH 7.4): 5.97; (5)ACD/BCF (pH 5.5): 20430.63; (6)ACD/BCF (pH 7.4): 20430.63; (7)ACD/KOC (pH 5.5): 42353.17; (8)ACD/KOC (pH 7.4): 42353.17; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 83.23 cm³; (15)Molar Volume: 260.2 cm³; (16)Polarizability: 32.99×10^-24cm³; (17)Surface Tension: 39.2 dyne/cm; (18)Density: 1.039 g/cm³; (19)Flash Point: 130.3 °C; (20)Enthalpy of Vaporization: 64.42 kJ/mol; (21)Boiling Point: 394.2 °C at 760 mmHg; (22)Vapour Pressure: 2.01E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCC(=O)OC1=CC2=CC=CC=C2C=C1
(2)InChI: InChI=1S/C18H22O2/c1-2-3-4-5-6-11-18(19)20-17-13-12-15-9-7-8-10-16(15)14-17/h7-10,12-14H,2-6,11H2,1H3
(3)InChIKey: CXVZBUOSDMLXNK-UHFFFAOYSA-N

Product Name

2-NAPHTHYL CAPRYLATE

Synthetic route

Octanoic acid,2-naphthalenyl ester Specification

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