Product Name

  • Name

    beta-Amyrin

  • EINECS 209-204-6
  • CAS No. 559-70-6
  • Article Data33
  • CAS DataBase
  • Density 1.014 g/cm3
  • Solubility
  • Melting Point 187-190 °C
  • Formula C30H50O
  • Boiling Point 490.669 °C at 760 mmHg
  • Molecular Weight 426.726
  • Flash Point 217.7°C
  • Transport Information
  • Appearance white crystalline powder
  • Safety 22-45
  • Risk Codes 22
  • Molecular Structure Molecular Structure of 559-70-6 (beta-Amyrin)
  • Hazard Symbols IrritantXi
  • Synonyms Olean-12-en-3b-ol (6CI,8CI);(+)-b-Amyrin;3b-Hydroxyolean-12-ene;NSC 527971;b-Amirin;b-Amyrenol;b-Amyrin;b-Amyrine;
  • PSA 20.23000
  • LogP 8.16890

Synthetic route

(3β)-3-{[(1,1-dimethylethyl)dimethylsilyl]oxy}-olean-12-en
129511-76-8

(3β)-3-{[(1,1-dimethylethyl)dimethylsilyl]oxy}-olean-12-en

beta-amyrin
559-70-6

beta-amyrin

Conditions
ConditionsYield
With zinc In acetic acid at 20 - 40℃; for 4h; Reagent/catalyst; Solvent;97%
With tetrabutyl ammonium fluoride In tetrahydrofuran at 55℃; for 12h;95%
beta-amyrin
559-70-6

beta-amyrin

Conditions
ConditionsYield
With ethylenediamine In methanol for 0.0666667h; Microwave irradiation;94%
With potassium hydroxide In methanol
With potassium hydroxide In ethanol for 1h;
With potassium hydroxide In methanol Reflux;
Conditions
ConditionsYield
With lithium; ethylenediamine for 2h; Heating;85%
(3S,4R,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-3-Hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-picene-4-carbaldehyde
195156-15-1

(3S,4R,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-3-Hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-picene-4-carbaldehyde

beta-amyrin
559-70-6

beta-amyrin

Conditions
ConditionsYield
Stage #1: (3S,4R,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-3-Hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-picene-4-carbaldehyde With hydrazine hydrate In ethanol; diethylene glycol for 1h; Heating; Huang-Minlon reduction;
Stage #2: With potassium hydroxide for 2h; Heating;
77%

A

beta-amyrin
559-70-6

beta-amyrin

B

3α-hydroxyolean-12-ene
6811-63-8

3α-hydroxyolean-12-ene

Conditions
ConditionsYield
With potassium hydroxide In diethylene glycol for 2h; Heating;A 50%
B 15%
Imidazole-1-carbothioic acid O-((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picen-4a-ylmethyl) ester
79542-23-7

Imidazole-1-carbothioic acid O-((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picen-4a-ylmethyl) ester

beta-amyrin
559-70-6

beta-amyrin

Conditions
ConditionsYield
With tri-n-butyl-tin hydride In xylene at 130℃; for 10h;40%
β-amyrin palmitate
5973-06-8

β-amyrin palmitate

A

beta-amyrin
559-70-6

beta-amyrin

B

1-hexadecylcarboxylic acid
57-10-3

1-hexadecylcarboxylic acid

Conditions
ConditionsYield
bei der Verseifung; β-amyrin palmitate (balanophorin);
3α-acetoxy-oleanen-(12)-al-(24)-hydrazone

3α-acetoxy-oleanen-(12)-al-(24)-hydrazone

A

beta-amyrin
559-70-6

beta-amyrin

B

3α-hydroxyolean-12-ene
6811-63-8

3α-hydroxyolean-12-ene

Conditions
ConditionsYield
With ethanol; sodium ethanolate; hydrazine hydrate at 200℃;
3β-acetoxy-oleanen-(12)-al-(30)-semicarbazone

3β-acetoxy-oleanen-(12)-al-(30)-semicarbazone

sodium ethanolate
141-52-6

sodium ethanolate

A

beta-amyrin
559-70-6

beta-amyrin

B

11-hydroxymethyl-4,4a,6a,6b,8a,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-eicosahydropicen-3-ol
6813-59-8

11-hydroxymethyl-4,4a,6a,6b,8a,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-eicosahydropicen-3-ol

Conditions
ConditionsYield
at 200℃;
3β-acetoxy-oleanen-(12)-al-(30)-semicarbazone

3β-acetoxy-oleanen-(12)-al-(30)-semicarbazone

A

beta-amyrin
559-70-6

beta-amyrin

B

11-hydroxymethyl-4,4a,6a,6b,8a,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-eicosahydropicen-3-ol
6813-59-8

11-hydroxymethyl-4,4a,6a,6b,8a,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-eicosahydropicen-3-ol

Conditions
ConditionsYield
With ethanol; sodium at 200℃;
3β-acetoxy-oleanen-(12)-al-(28)-semicarbazone

3β-acetoxy-oleanen-(12)-al-(28)-semicarbazone

sodium ethanolate
141-52-6

sodium ethanolate

A

beta-amyrin
559-70-6

beta-amyrin

Conditions
ConditionsYield
With ethanol at 200℃;
at 200℃;
3β-acetoxy-oleanen-(12)-al-(28)-semicarbazone

3β-acetoxy-oleanen-(12)-al-(28)-semicarbazone

A

beta-amyrin
559-70-6

beta-amyrin

Conditions
ConditionsYield
With ethanol; sodium at 200℃;
squalene 2,3(S)-oxide
54910-48-4

squalene 2,3(S)-oxide

beta-amyrin
559-70-6

beta-amyrin

Conditions
ConditionsYield
With potassium phosphate; β-amyrin cyclase; Triton X-100 at 30℃; for 1h; changes of the activity of the cyclase from ea seedlings;
oleanen-(12)-one-(3)

oleanen-(12)-one-(3)

beta-amyrin
559-70-6

beta-amyrin

Conditions
ConditionsYield
With acetic acid; platinum Hydrogenation;
With ethanol; sodium; xylene
oleanen-(12)-one-(3)

oleanen-(12)-one-(3)

A

beta-amyrin
559-70-6

beta-amyrin

B

3α-hydroxyolean-12-ene
6811-63-8

3α-hydroxyolean-12-ene

Conditions
ConditionsYield
With ethanol; nickel at 200℃; under 22065.2 - 47808 Torr;
With ethanol; nickel at 200℃; under 22065.2 - 47808 Torr; Hydrogenation;
acetic acid
64-19-7

acetic acid

platinum

platinum

beta-amyrin
559-70-6

beta-amyrin

Conditions
ConditionsYield
Hydrogenation;
tetrachloromethane
56-23-5

tetrachloromethane

ethanol
64-17-5

ethanol

sodium

sodium

beta-amyrin
559-70-6

beta-amyrin

3β-hydroxy-olean-12-en-16-one
6929-28-8

3β-hydroxy-olean-12-en-16-one

sodium methylate
124-41-4

sodium methylate

hydrazine
302-01-2

hydrazine

beta-amyrin
559-70-6

beta-amyrin

Conditions
ConditionsYield
at 230℃;
3β-hydroxyoleanane-12-one
5916-18-7

3β-hydroxyoleanane-12-one

acetic acid
64-19-7

acetic acid

platinum

platinum

beta-amyrin
559-70-6

beta-amyrin

Conditions
ConditionsYield
Hydrogenation;
3α-acetoxy-oleanen-(12)-al-(24)-hydrazone

3α-acetoxy-oleanen-(12)-al-(24)-hydrazone

sodium ethanolate
141-52-6

sodium ethanolate

hydrazine hydrate
7803-57-8

hydrazine hydrate

A

beta-amyrin
559-70-6

beta-amyrin

B

3α-hydroxyolean-12-ene
6811-63-8

3α-hydroxyolean-12-ene

Conditions
ConditionsYield
at 200℃;
squalene 2,3(S)-oxide
54910-48-4

squalene 2,3(S)-oxide

A

beta-amyrin
559-70-6

beta-amyrin

C

lupenol
545-47-1

lupenol

Conditions
ConditionsYield
With Arabidopsis thaliana LUP1 Product distribution; Cyclization; Enzymatic reaction;A 8 % Chromat.
B 7 % Chromat.
C 38 % Chromat.
D 4 % Chromat.
3β-benzoyloxy-24-oxoolean-12-ene
195156-14-0

3β-benzoyloxy-24-oxoolean-12-ene

beta-amyrin
559-70-6

beta-amyrin

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: 77 percent / NaOH / methanol; tetrahydrofuran / 3 h / 20 °C
2.1: NH2NH2*H2O / bis-(2-hydroxy-ethyl) ether; ethanol / 1 h / Heating; Huang-Minlon reduction
2.2: 77 percent / KOH / 2 h / Heating
View Scheme
Benzoic acid (3S,4S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4-hydroxymethyl-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-picen-3-yl ester
195156-13-9

Benzoic acid (3S,4S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4-hydroxymethyl-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-picen-3-yl ester

beta-amyrin
559-70-6

beta-amyrin

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: 95 percent / pyridinium chlorochromate / CH2Cl2 / 1 h / 20 °C
2.1: 77 percent / NaOH / methanol; tetrahydrofuran / 3 h / 20 °C
3.1: NH2NH2*H2O / bis-(2-hydroxy-ethyl) ether; ethanol / 1 h / Heating; Huang-Minlon reduction
3.2: 77 percent / KOH / 2 h / Heating
View Scheme
24-trityloxyolean-12-en-3β-ol
195156-11-7

24-trityloxyolean-12-en-3β-ol

beta-amyrin
559-70-6

beta-amyrin

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: 4-(dimethylamino)pyridine / CH2Cl2 / 2 h / 20 °C
2.1: 69 percent / HCl / acetone; methanol / 2 h / 60 °C
3.1: 95 percent / pyridinium chlorochromate / CH2Cl2 / 1 h / 20 °C
4.1: 77 percent / NaOH / methanol; tetrahydrofuran / 3 h / 20 °C
5.1: NH2NH2*H2O / bis-(2-hydroxy-ethyl) ether; ethanol / 1 h / Heating; Huang-Minlon reduction
5.2: 77 percent / KOH / 2 h / Heating
View Scheme
3β-benzoyloxy-24-trityloxyolean-12-ene
195156-12-8

3β-benzoyloxy-24-trityloxyolean-12-ene

beta-amyrin
559-70-6

beta-amyrin

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: 69 percent / HCl / acetone; methanol / 2 h / 60 °C
2.1: 95 percent / pyridinium chlorochromate / CH2Cl2 / 1 h / 20 °C
3.1: 77 percent / NaOH / methanol; tetrahydrofuran / 3 h / 20 °C
4.1: NH2NH2*H2O / bis-(2-hydroxy-ethyl) ether; ethanol / 1 h / Heating; Huang-Minlon reduction
4.2: 77 percent / KOH / 2 h / Heating
View Scheme
3β,24-dihydroxyolean-12-ene
119318-15-9

3β,24-dihydroxyolean-12-ene

beta-amyrin
559-70-6

beta-amyrin

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1.1: pyridine / 5 h / Heating
2.1: 4-(dimethylamino)pyridine / CH2Cl2 / 2 h / 20 °C
3.1: 69 percent / HCl / acetone; methanol / 2 h / 60 °C
4.1: 95 percent / pyridinium chlorochromate / CH2Cl2 / 1 h / 20 °C
5.1: 77 percent / NaOH / methanol; tetrahydrofuran / 3 h / 20 °C
6.1: NH2NH2*H2O / bis-(2-hydroxy-ethyl) ether; ethanol / 1 h / Heating; Huang-Minlon reduction
6.2: 77 percent / KOH / 2 h / Heating
View Scheme
C33H52O3
104235-76-9

C33H52O3

beta-amyrin
559-70-6

beta-amyrin

Conditions
ConditionsYield
Multi-step reaction with 10 steps
1.1: 6 percent / sodium / 2-methyl-propan-2-ol; toluene / 22 h / Heating
2.1: 100 percent / pyridine; 4-(dimethylamino)pyridine / 20 °C
3.1: 79 percent / lithium triethylborohydride / dimethylsulfoxide / 1 h / 65 °C
4.1: 93 percent / H2 / Pd/C / CH2Cl2; methanol / 20 °C
5.1: pyridine / 5 h / Heating
6.1: 4-(dimethylamino)pyridine / CH2Cl2 / 2 h / 20 °C
7.1: 69 percent / HCl / acetone; methanol / 2 h / 60 °C
8.1: 95 percent / pyridinium chlorochromate / CH2Cl2 / 1 h / 20 °C
9.1: 77 percent / NaOH / methanol; tetrahydrofuran / 3 h / 20 °C
10.1: NH2NH2*H2O / bis-(2-hydroxy-ethyl) ether; ethanol / 1 h / Heating; Huang-Minlon reduction
10.2: 77 percent / KOH / 2 h / Heating
View Scheme
22β-hydroxy-3β,24-isopropylidenedioxyolean-12-ene
104235-58-7

22β-hydroxy-3β,24-isopropylidenedioxyolean-12-ene

beta-amyrin
559-70-6

beta-amyrin

Conditions
ConditionsYield
Multi-step reaction with 9 steps
1.1: 100 percent / pyridine; 4-(dimethylamino)pyridine / 20 °C
2.1: 79 percent / lithium triethylborohydride / dimethylsulfoxide / 1 h / 65 °C
3.1: 93 percent / H2 / Pd/C / CH2Cl2; methanol / 20 °C
4.1: pyridine / 5 h / Heating
5.1: 4-(dimethylamino)pyridine / CH2Cl2 / 2 h / 20 °C
6.1: 69 percent / HCl / acetone; methanol / 2 h / 60 °C
7.1: 95 percent / pyridinium chlorochromate / CH2Cl2 / 1 h / 20 °C
8.1: 77 percent / NaOH / methanol; tetrahydrofuran / 3 h / 20 °C
9.1: NH2NH2*H2O / bis-(2-hydroxy-ethyl) ether; ethanol / 1 h / Heating; Huang-Minlon reduction
9.2: 77 percent / KOH / 2 h / Heating
View Scheme
C33H52O2
186415-72-5

C33H52O2

beta-amyrin
559-70-6

beta-amyrin

Conditions
ConditionsYield
Multi-step reaction with 7 steps
1.1: 93 percent / H2 / Pd/C / CH2Cl2; methanol / 20 °C
2.1: pyridine / 5 h / Heating
3.1: 4-(dimethylamino)pyridine / CH2Cl2 / 2 h / 20 °C
4.1: 69 percent / HCl / acetone; methanol / 2 h / 60 °C
5.1: 95 percent / pyridinium chlorochromate / CH2Cl2 / 1 h / 20 °C
6.1: 77 percent / NaOH / methanol; tetrahydrofuran / 3 h / 20 °C
7.1: NH2NH2*H2O / bis-(2-hydroxy-ethyl) ether; ethanol / 1 h / Heating; Huang-Minlon reduction
7.2: 77 percent / KOH / 2 h / Heating
View Scheme
vinyl acetate
108-05-4

vinyl acetate

beta-amyrin
559-70-6

beta-amyrin

Conditions
ConditionsYield
With Candida rugosa lipase In hexane at 37℃; for 24h; Kinetics;99.9%
beta-amyrin
559-70-6

beta-amyrin

acetic anhydride
108-24-7

acetic anhydride

Conditions
ConditionsYield
With dmap In dichloromethane for 3h;88%
With pyridine
In pyridine
With pyridine for 5h; Heating;
glutaric anhydride,
108-55-4

glutaric anhydride,

beta-amyrin
559-70-6

beta-amyrin

3-[(3-carboxypropyl)carbonyloxy]-β-amyrin
1276121-29-9

3-[(3-carboxypropyl)carbonyloxy]-β-amyrin

Conditions
ConditionsYield
With pyridine; dmap at 20℃;81%
succinic acid anhydride
108-30-5

succinic acid anhydride

beta-amyrin
559-70-6

beta-amyrin

3-[(2-carboxyethyl)carbonyloxy]-β-amyrin
57732-65-7

3-[(2-carboxyethyl)carbonyloxy]-β-amyrin

Conditions
ConditionsYield
With pyridine; dmap at 20℃;79%
n-hexanoic anhydride
2051-49-2

n-hexanoic anhydride

beta-amyrin
559-70-6

beta-amyrin

olean-12-ene-3β-hexanoate
64166-12-7

olean-12-ene-3β-hexanoate

Conditions
ConditionsYield
With dmap In dichloromethane for 3h;75%
Conditions
ConditionsYield
With chromium trioxide pyridine In dichloromethane for 24h; Ambient temperature;72%
With chromium(VI) oxide; sulfuric acid In acetone
With 4-methylisopropylbenzene; nickel Heating;
beta-amyrin
559-70-6

beta-amyrin

B

3,11-dioxo-β-amyrene
2935-32-2

3,11-dioxo-β-amyrene

C

3β,11α-dihydroxy-olean-12-ene
5282-14-4

3β,11α-dihydroxy-olean-12-ene

D

3β-hydroxy-olean-9(11),12-diene
94530-87-7

3β-hydroxy-olean-9(11),12-diene

Conditions
ConditionsYield
With 5,10,15,20-tetra(2',6'-dichlorophenyl)porphyrinatoiron(III) chloride; iodosylbenzene In dichloromethane at 20℃; for 5h; Oxidation;A 4%
B 9%
C 35%
D 5%
beta-amyrin
559-70-6

beta-amyrin

methyl 3'-(cyanocarbonyl)-2,2'-binaphthalene-3-carboxylate
386707-15-9

methyl 3'-(cyanocarbonyl)-2,2'-binaphthalene-3-carboxylate

methyl (3β)-olean-12-en-3-yl 2,2'-binaphthalene-3,3'-dicarboxylate

methyl (3β)-olean-12-en-3-yl 2,2'-binaphthalene-3,3'-dicarboxylate

Conditions
ConditionsYield
With dmap In acetonitrile at 20℃;9%
pyridine
110-86-1

pyridine

beta-amyrin
559-70-6

beta-amyrin

acetic anhydride
108-24-7

acetic anhydride

pyridine
110-86-1

pyridine

beta-amyrin
559-70-6

beta-amyrin

p-toluenesulfonyl chloride
98-59-9

p-toluenesulfonyl chloride

oleana-2,12-diene
640-25-5

oleana-2,12-diene

formic acid
64-18-6

formic acid

beta-amyrin
559-70-6

beta-amyrin

olean-12-ene-3β-formiate
6009-69-4

olean-12-ene-3β-formiate

α-amyrin
638-95-9

α-amyrin

beta-amyrin
559-70-6

beta-amyrin

6-Hydroxy-1.2.5-trimethyl-naphthalin
108368-99-6

6-Hydroxy-1.2.5-trimethyl-naphthalin

Conditions
ConditionsYield
With selenium at 350℃;
α-amyrin
638-95-9

α-amyrin

beta-amyrin
559-70-6

beta-amyrin

10-hydroxy-2.9-dimethyl-picene

10-hydroxy-2.9-dimethyl-picene

Conditions
ConditionsYield
With selenium at 350℃;
beta-amyrin
559-70-6

beta-amyrin

oleana-2,12-diene
640-25-5

oleana-2,12-diene

Conditions
ConditionsYield
With pyridine; p-toluenesulfonyl chloride at 100℃;
beta-amyrin
559-70-6

beta-amyrin

1,2,7-trimethylnaphthalene
486-34-0

1,2,7-trimethylnaphthalene

Conditions
ConditionsYield
With sulfur
With selenium
beta-amyrin
559-70-6

beta-amyrin

3,11-dioxo-β-amyrene
2935-32-2

3,11-dioxo-β-amyrene

Conditions
ConditionsYield
With chromium(VI) oxide; acetic acid at 70℃;
beta-amyrin
559-70-6

beta-amyrin

3β-methoxyolean-12-ene
14021-26-2

3β-methoxyolean-12-ene

Conditions
ConditionsYield
With potassium; benzene anschliessendes Kochen mit Methyljodid;
beta-amyrin
559-70-6

beta-amyrin

((1S)-1,4,4-trimethyl-cyclohex-2-enyl)-acetic acid methyl ester

((1S)-1,4,4-trimethyl-cyclohex-2-enyl)-acetic acid methyl ester

Conditions
ConditionsYield
ueber mehrere Stufen;
beta-amyrin
559-70-6

beta-amyrin

A-neooleana-3(5),12-diene
22586-84-1

A-neooleana-3(5),12-diene

Conditions
ConditionsYield
With phosphorus pentachloride; Petroleum ether
beta-amyrin
559-70-6

beta-amyrin

5(4=>3)-abeo-oleanadiene-(3.12)
22586-86-3

5(4=>3)-abeo-oleanadiene-(3.12)

Conditions
ConditionsYield
With phosphorus pentachloride; Petroleum ether
beta-amyrin
559-70-6

beta-amyrin

(4aR)-10c-Allophanoyloxy-2.2.4ar.6at.6bc.9.9.12ac-octamethyl-(8atH.12btH.14bcH)-Δ14-eicosahydro-picen

(4aR)-10c-Allophanoyloxy-2.2.4ar.6at.6bc.9.9.12ac-octamethyl-(8atH.12btH.14bcH)-Δ14-eicosahydro-picen

beta-amyrin
559-70-6

beta-amyrin

3β-hydroxyoleanane-12-one
5916-18-7

3β-hydroxyoleanane-12-one

Conditions
ConditionsYield
With Perbenzoic acid; chloroform
With monoperoxyphthalic acid
beta-amyrin
559-70-6

beta-amyrin

12,19-epithio-oleana-9(11),12,18-trien-3β-ol

12,19-epithio-oleana-9(11),12,18-trien-3β-ol

Conditions
ConditionsYield
With nitrogen; sulfur at 220℃;

beta-Amyrin Specification

The beta-Amyrin, with the cas registry number 559-70-6, is also known as NSC 527971 and Olean-12-en-3beta-ol. It belongs to the product categories of Tri-Terpenoids. Its EINECS number is 209-204-6. This chemical's molecular formula is C30H50O and formula weight is 426.72. What's more, its systematic name is called (3β)-Olean-12-en-3-ol. This chemical is white crystalline powder.

Physical properties about this chemical are: (1)ACD/LogP: 10.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.481; (4)ACD/LogD (pH 7.4): 10.481; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 131.922 cm3; (15)Molar Volume: 420.836 cm3; (16)Surface Tension: 39.479 dyne/cm; (17)Density: 1.014 g/cm3; (18)Flash Point: 217.667 °C; (19)Enthalpy of Vaporization: 87.236 kJ/mol; (20)Boiling Point: 490.669 °C at 760 mmHg; (21)Melting Point: 187-190 °C; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. Besides, it is harmful if swallowed. You should not breathe its dust. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]1CC(CC2)(C)C)C
(2)InChI: InChI=1/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1
(3)InChIKey: JFSHUTJDVKUMTJ-QHPUVITPBE

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View