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Basic Information

Molecular Structure:
CAS No.:	59-30-3
Name:	Folic acid
Article Data:	49
Cas Database

Formula:	C₁₉H₁₉N₇O₆
Molecular Weight:	441.403
Synonyms:	4-Pteridinol, 2-amino-6-((p-((1, 3-dicarboxypropyl)carbamoyl)anilino)methyl)-;Acido folico [INN-Spanish];Folsav;(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-7-yl)methylamino]benzoyl]amino]pentanedioate;Vitamin M;Pteroyl-L-monoglutamic acid;Folvite;Folaemin [Netherlands];L-Glutamic acid, N-(4-((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-;Folico (Italy);pteridinyl)methyl]amino]benzoyl]-;Kyselina listova [Czech];Folettes;Folipac;Foliamin;(2R)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioate;Folasic (Australia);Incafolic;L-Glutamic acid,N-[4-[[(2-amino-1,4- dihydro-4-oxo-6-pteridinyl)methyl]amino]- benzoyl]-;Glutamic acid, pteroyl-, L-;Folic acid (TN);L-glutamic acid, N-[4-[[(2-amino-4,8-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-;Vitamin Be;(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;Pteroylmonoglutamate;Glutamic acid, N-[p-[[(2-amino-4-hydroxypyrimido(4, 5-b)pyrazin-6-yl)methyl]amino]benzoyl]-, L;L-Glutamic acid, N-(4-(((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-, K salt;Folate;Glutamic acid, N-(p-(((2-amino-4-hydroxy-6-pteridinyl)methyl)amino)benzoyl)-, L-;Folacin;Vitamin B9;
EINECS:	200-419-0
Density:	1.68 g/cm³
Melting Point:	250 °C
Boiling Point:	552.35°C (rough estimate)
Flash Point:	N/A
Solubility:	1.6 mg/L (25 °C) in water
Appearance:	orange to yellow crystalline powder
Hazard Symbols:	Xn
Risk Codes:	33-62-68
Safety:	24/25
Transport Information:	N/A
PSA:	213.28000
LogP:	1.00030

Synthetic route

: 4271-30-1
N-(4-aminobenzoyl)-L-glutamic acid

: 2,5,6-triamino-1,4-dihydropyrimidin-4-one hydrochloride

: 59-30-3
folate

Conditions

Conditions	Yield
With 1,1,1-trichloroacetone; sodium sulfite In water at 40 - 50℃; for 1h; pH=3 - 4; pH-value; Temperature;	85%

: 921-03-9
1,1,3-trichloroacetone

: 4271-30-1
N-(4-aminobenzoyl)-L-glutamic acid

: 35011-47-3
2,4,5-triamino-6-hydroxypyrimidine sulfate

: 59-30-3
folate

Conditions

Conditions	Yield
With sodium metabisulfite at 20 - 30℃; for 2h; Temperature; Ionic liquid;	83.2%
With sodium metabisulfite; sodium acetate at 45℃; for 3h; Temperature;	46.2%

...Expand

: 918-00-3
1,1,1-trichloroacetone

: 6758-40-3
p-Nitrobenzoyl-L-(+)-glutamic acid

: 2387-48-6
2,4-diamino-5-nitroso-6-hydroxypyrimidine

: 59-30-3
folate

Conditions

Conditions	Yield
Stage #1: p-Nitrobenzoyl-L-(+)-glutamic acid; 2,4-diamino6-hydroxy-5-nitroso pyrimidine With hydrogen In water at 82℃; under 6000.6 Torr; Stage #2: 1,1,1-trichloroacetone With sodium metabisulfite; sodium hydroxide In water at 45℃; pH=4.5; pH-value; Pressure; Temperature;	80%

...Expand

: 918-00-3
1,1,1-trichloroacetone

: 4271-30-1
N-(4-aminobenzoyl)-L-glutamic acid

: 35011-47-3
2,4,5-triamino-6-hydroxypyrimidine sulfate

: 59-30-3
folate

Conditions

Conditions	Yield
Stage #1: 1,1,1-trichloroacetone; N-(4-aminobenzoyl)-L-glutamic acid With sodium acetate; sodium sulfite In acetic acid at 43℃; for 0.5h; Stage #2: 2,4,5-triamino-6-hydroxypyrimidine sulfate In acetic acid at 38℃; for 5h;	75.5%

...Expand

: 3475-39-6
1,1,3-tribromoacetone

: 4271-30-1
N-(4-aminobenzoyl)-L-glutamic acid

: 35011-47-3
2,4,5-triamino-6-hydroxypyrimidine sulfate

: 59-30-3
folate

Conditions

Conditions	Yield
With sodium carbonate In ethanol; water at 40℃; pH=7.5; Temperature; pH-value;	60%

...Expand

: 65165-92-6
folate

: 497-15-4
2-hydroxy-3-oxopropionaldehyde

: 4271-30-1
N-(4-aminobenzoyl)-L-glutamic acid

: 59-30-3
folate

...Expand

: 188497-71-4
7,8-dihydrofolic acid

: Na-folate

: 68-04-2
sodium citrate

: 59-30-3
folate

Conditions

Conditions	Yield
With sodium hydroxide

...Expand

: 58-05-9
folinic acid

: 10016-20-3
alpha cyclodextrin

: 59-30-3
folate

Conditions

Conditions	Yield
In water

: 59-30-3
folate

: 485800-26-8
N-tert-butoxycarbonyl cystamine

: 1301165-94-5
tert-butyl 2-{[2-({N2-(4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoyl)-N1-[2-({2-[(tert-butoxycarbonyl)amino]ethyl}dithio)ethyl]-α-glutaminyl}amino)ethyl]dithio}ethylcarbamate

Conditions

Conditions	Yield
With pyridine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In water at 100℃;	96%

: 59-30-3
folate

: calcium chloride

: C19H17N7O6(2-)*Ca(2+)

Conditions

Conditions	Yield
Stage #1: folate With sodium hydroxide at 50℃; for 2h; pH=7.4; Stage #2: calcium chloride In ethanol; water at 50℃; for 1h;	96%

Raw Materials

497-15-4

10016-20-3

65165-92-6

4271-30-1

58-05-9

Downstream Products

149-87-1

119-24-4

712-30-1

37793-53-6

135-16-0

2387-23-7

150-13-0

54-62-6

Total:443 Page 1 of 12 1 2 3 4 5 6 …12 Next>>

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Chemistry

The Structure of Folic Acid (CAS NO.59-30-3):

IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Molecular formula: C₁₉H₁₉N₇O₆
Molar mass: 441.4 g mol^-1
H bond acceptors: 13
H bond donors: 7
Freely Rotating Bonds: 9
Polar Surface Area: 137.84Å²
Index of Refraction: 1.762
Molar Refractivity: 107.81 cm³
Molar Volume: 261.3 cm³
Surface Tension: 80.6 dyne/cm
Density: 1.68 g/cm³
Melting Point: 250 °C
Storage Temp: 2-8°C
Water Solubility: 1.6 mg/L (25 ºC)
Stability: Stable. Incompatible with heavy metal ions, strong oxidizing agents, strong reducing agents. Solutions may be light and heat sensitive
EINECS: 200-419-0
Product Categories: Food and Feed Additive; Biochemistry; Vitamins; Nutritional Supplements; Vitamin Ingredients
InChI
InChI=1/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1
Smiles
c12c(nc(CNc3ccc(C(N[C@@H](CCC(O)=O)C(O)=O)=O)cc3)cn1)c(nc([nH]2)N)=O

History

Folic Acid (CAS NO.59-30-3) was identified as the corrective substance in brewer's yeast in the late 1930s and was first isolated in spinach leaves by Mitchell and others in 1941.

Uses

Folic Acid (CAS NO.59-30-3) is necessary for the production and maintenance of new cells, appears to reduce the risk of stroke. It is also added to grain products in many countries and in these countries fortified products make up a significant source of folate. It is an important nutrient for women who may become pregnant.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	intravenous	120mg/kg (120mg/kg)		Drugs in Japan Vol. -, Pg. 1409, 1995.
mouse	LD50	intraperitoneal	85mg/kg (85mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: COMA	Experientia. Vol. 41, Pg. 72, 1985.
mouse	LD50	intravenous	282mg/kg (282mg/kg)		Toxicology and Applied Pharmacology. Vol. 23, Pg. 537, 1972.
mouse	LD50	oral	10gm/kg (10000mg/kg)		Toxicology and Applied Pharmacology. Vol. 23, Pg. 537, 1972.
mouse	LDLo	subcutaneous	200mg/kg (200mg/kg)	KIDNEY, URETER, AND BLADDER: OTHER CHANGES BLOOD: CHANGES IN SPLEEN	Proceedings of the Society for Experimental Biology and Medicine. Vol. 71, Pg. 544, 1949.
rabbit	LD50	intravenous	410mg/kg (410mg/kg)		Drugs in Japan Vol. -, Pg. 1409, 1995.
rat	LD50	intravenous	500mg/kg (500mg/kg)		Drugs in Japan Vol. -, Pg. 1409, 1995.

Safety Profile

Risk Statements: 33-62-68
R33: Danger of cumulative effects.
R62: Risk of impaired fertility.
R68: Possible risk of irreversible effects.
Safety Statements: 24/25
S24/25: Avoid contact with skin and eyes.
WGK Germany: 1
RTECS: LP5425000
F: 8

Specification

Folic acid , with CAS number of 59-30-3, can be called Pteroyl-l-glutamic acid ; pteroylmonoglutamic acid ; pteroylglutamic acid ; pteroyglutamic acid ; pteglu ; pga ; n-[4-[[(2-amino-4-hydroxy-6-pteridyl)methyl]amino]benzoyl]glutamic acid ; n-4-[(2-amido-4-oxo-1,4-dihydro-6-terene)methylamino]benzoyl-l-glutamic acid . Folic Acid (CAS NO.59-30-3) is a toxic substance, with flammability, burning will produce toxic gases, so it should be stored in a tightly closed container which is cool, dry and well-ventilated, be away from incompatible substances and light. Dry powder, foam, sand, carbon dioxide, water mist can be used if something urgent happened.

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