Sterculic acid supplier | CasNO.738-87-4

Name
Sterculic acid
EINECS
CAS No. 738-87-4
Article Data6
CAS DataBase
Density 0.948 g/cm³
Solubility
Melting Point 19 °C
Formula C₁₉H₃₄O₂
Boiling Point 418.7 °C at 760 mmHg
Molecular Weight 294.478
Flash Point 315.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Sterculicacid;Sterculinic acid;
PSA 37.30000
LogP 6.25260

Synthetic route

: 143-33-9
sodium cyanide

: 152389-88-3
1-(7-Iodo-heptyl)-2-octyl-cyclopropene

: 738-87-4
sterculic acid

Conditions

Conditions	Yield
With sodium hydroxide

: 51526-03-5
1,ω-diiodoheptane

: 738-87-4
sterculic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: butyl lithium, HMPA / Ambient temperature 2: aq. NaOH View Scheme

: 108176-04-1
1,1,2-tribromo-2-n-octylcyclopropane

: 738-87-4
sterculic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: butyl lithium, HMPA / Ambient temperature 2: aq. NaOH View Scheme

: 738-87-4
sterculic acid

: 4675-61-0
cis-8-(2-octylcyclopropyl)octanoic acid

Conditions

Conditions	Yield
With Lindlar's catalyst; ethanol Hydrogenation;

: 738-87-4
sterculic acid

: 74-88-4
methyl iodide

: 3220-60-8
methyl sterculate

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydroxide In dichloromethane

Sterculic acid Specification

The Sterculic acid, with CAS registry number 738-87-4, has the systematic name of 8-(2-octylcycloprop-1-en-1-yl)octanoic acid. And its IUPAC name is the same one. Besides this, it is also called 1-Cyclopropene-1-octanoic acid, 2-octyl-.

Physical properties about this chemical are: (1)ACD/LogP: 7.72; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.92; (4)ACD/LogD (pH 7.4): 5.13; (5)ACD/BCF (pH 5.5): 68964.09; (6)ACD/BCF (pH 7.4): 1106.15; (7)ACD/KOC (pH 5.5): 60059.03; (8)ACD/KOC (pH 7.4): 963.32; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 89.24 cm³; (15)Molar Volume: 310.3 cm³; (16)Polarizability: 35.37×10^-24cm³; (17)Surface Tension: 36.7 dyne/cm; (18)Enthalpy of Vaporization: 73.74 kJ/mol; (19)Vapour Pressure: 3.49E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCCCCC/C1=C(/C1)CCCCCCCC
(2)InChI: InChI=1/C19H34O2/c1-2-3-4-5-7-10-13-17-16-18(17)14-11-8-6-9-12-15-19(20)21/h2-16H2,1H3,(H,20,21)
(3)InChIKey: PQRKPYLNZGDCFH-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C19H34O2/c1-2-3-4-5-7-10-13-17-16-18(17)14-11-8-6-9-12-15-19(20)21/h2-16H2,1H3,(H,20,21)
(5)Std. InChIKey: PQRKPYLNZGDCFH-UHFFFAOYSA-N

Product Name

Sterculic acid

Synthetic route

Sterculic acid Specification

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