Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

5-Heptylresorcinol

Related Products

Hot Products

Name

5-Heptylresorcinol

EINECS 207-909-3
CAS No. 500-67-4 Density 1.033 g/cm3
PSA 40.46000 LogP 3.61070
Solubility N/A Melting Point N/A
Formula C13H20O2 Boiling Point 342.3 °C at 760 mmHg
Molecular Weight 208.301 Flash Point 159.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 500-67-4 (5-Heptylresorcinol) Hazard Symbols N/A
Synonyms

Resorcinol,5-heptyl- (7CI,8CI);Spherophorol (6CI);5-Heptylresorcinol;Sphaeropherol;

Article Data 22

5-Heptylresorcinol Synthetic route

6121-64-8

5-n-heptyl resorcinol dimethyl ether

500-67-4

spherophorol

Conditions
ConditionsYield
With boron tribromide In dichloromethane at 0 - 25℃; ether cleavage;100%
With hydrogen bromide; acetic acid In water at 125℃; for 3h; Inert atmosphere;96%
With boron tribromide In dichloromethane at -78 - 0℃;91%
137571-77-8

2,2-dimethyl-5-(1-heptyl)-7-hydroxy-4H-1,3-benzodioxin-4-one

500-67-4

spherophorol

Conditions
ConditionsYield
With potassium hydroxide In dimethyl sulfoxide at 115℃; for 4.5h;99%
With aqueous KOH In dimethyl sulfoxide270 mg (99%)
529-56-6

sphaerophorin

500-67-4

spherophorol

Conditions
ConditionsYield
With potassium hydroxide
70336-35-5

2-Bromo-5-heptyl-3-hydroxy-cyclohex-2-enone

500-67-4

spherophorol

Conditions
ConditionsYield
With acetic acid
38862-66-7

ethyl 2-heptyl-4,6-dihydroxybenzoate

500-67-4

spherophorol

Conditions
ConditionsYield
With sodium hydroxide In water Heating;
6121-76-2

sphaerophorolcarboxylic acid

500-67-4

spherophorol

Conditions
ConditionsYield
at 170℃;
6121-77-3

methyl 2,4-dihydroxy-6-heptylbenzoate

500-67-4

spherophorol

Conditions
ConditionsYield
With hydrogenchloride; potassium hydroxide 1.) DMSO, 115 deg C, 2.5 h, 2.) 0 deg C, 3 d; Yield given. Multistep reaction;

triethylammonium salt of sphaerophorin

A

500-67-4

spherophorol

B

3209-13-0

O-methylorcinol

C

3-methoxy-5-methylphenyl 2-hydroxy-4-methoxy-6-methylbenzoate

D

decarboxysphaerophorin

Conditions
ConditionsYield
at 180℃; for 0.166667h; Product distribution; pyrolysis;
105-50-0

diethyl 1,3-acetonedicarboxylate

3-oxo-decanoic acid (1)-ethyl ester

3-oxo-decanoic acid (1)-ethyl ester

500-67-4

spherophorol

Conditions
ConditionsYield
With sodium at 150 - 180℃; Verschmelzen des Reaktionsprodukts mit KOH bei 250grad;
529-56-6

sphaerophorin

ethanolic KOH-solution

ethanolic KOH-solution

A

500-67-4

spherophorol

B

570-10-5

2-hydroxy-4-methoxy-6-methylbenzoic acid

Conditions
ConditionsYield

5-Heptylresorcinol Specification

The 5-Heptylresorcinol with the CAS number 500-67-4 is also called 1,3-Benzenediol,5-heptyl-. Both the systematic name and IUPAC name are 5-heptylbenzene-1,3-diol. Its molecular formula is C13H20O2. The EINECS registry number is 207-909-3. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 5-Heptylresorcinol are: (1)ACD/LogP: 4.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.41; (4)ACD/LogD (pH 7.4): 4.41; (5)ACD/BCF (pH 5.5): 1321.41; (6)ACD/BCF (pH 7.4): 1312.67; (7)ACD/KOC (pH 5.5): 5965.24; (8)ACD/KOC (pH 7.4): 5925.77; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 62.72 cm3; (15)Molar Volume: 201.6 cm3; (16)Polarizability: 24.86×10-24cm3; (17)Surface Tension: 41.8 dyne/cm; (18)Enthalpy of Vaporization: 60.93 kJ/mol; (19)Vapour Pressure: 3.83×10-5 mmHg at 25°C.

Preparation: This chemical can be prepared by 1-heptyl-3,5-dimethoxy-benzene. This reaction needs reagent aqueous HI.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc(cc(O)c1)CCCCCCC
(2)InChI: InChI=1/C13H20O2/c1-2-3-4-5-6-7-11-8-12(14)10-13(15)9-11/h8-10,14-15H,2-7H2,1H3
(3)InChIKey: QENPJKGENOZEEJ-UHFFFAOYAP

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 500-67-4