ChemicalBook--->CAS DataBase List--->666-99-9

666-99-9

666-99-9 Structure

666-99-9 Structure
IdentificationBack Directory
[Name]

AGARIC ACID
[CAS]

666-99-9
[Synonyms]

agaric
AGARICIN
NSC 60429
NSC 65690
AGARIC ACID
laricicacid
AGARICIC ACID
AGARIC ACID(P)
Agaricinic acid
n-hexadecylcitricacid
alpha-cetylcitricacid
α-Hexadecylcitric acid
Agaric Acid n-Hydrate
3-nonadecanetricarboxylicacid,2-hydroxy-2
2-hydroxynonadecane-1,2,3-tricarboxylic acid
2-HYDROXY-1,2,3-NONADECANETRICARBOXYLIC ACID
2-Hydroxy-1,2,3-nonadecanetricarboxylic acid, Agaricic acid, Agaricin
[EINECS(EC#)]

211-566-5
[Molecular Formula]

C22H40O7
[MDL Number]

MFCD00002665
[MOL File]

666-99-9.mol
[Molecular Weight]

416.55
Chemical PropertiesBack Directory
[Melting point ]

142° (dec)
[alpha ]

D19 -9° (NaOH)
[Boiling point ]

454.85°C (rough estimate)
[density ]

1.0867 (rough estimate)
[refractive index ]

1.5300 (estimate)
[storage temp. ]

-20°C Freezer, Under inert atmosphere
[solubility ]

Aqueous Base (Slightly), DMSO (Slightly)
[form ]

Solid
[pka]

2.93±0.36(Predicted)
[color ]

Pale Beige
[Merck ]

13,186
[InChI]

1S/C22H40O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(25)26)22(29,21(27)28)17-19(23)24/h18,29H,2-17H2,1H3,(H,23,24)(H,25,26)(H,27,28)
[InChIKey]

HZLCGUXUOFWCCN-UHFFFAOYSA-N
[SMILES]

CCCCCCCCCCCCCCCCC(C(O)=O)C(O)(CC(O)=O)C(O)=O || CCCCCCCCCCCCCCCCC(C(O)=O)C(O)(CC(O)=O)C(O)=O
Hazard InformationBack Directory
[Uses]

antiperspirant
[Uses]

Has been used as antiperspirant.
[in vivo]

Agaric acid (1-4% of the diet; 3 weeks) inhibits lipogenesis in rats[3].

Animal Model:Female Sprague-Dawley rats weighing 170-185 g[3]
Dosage:1% and 4% of the diet
Administration:3 weeks
Result:Significantly affected weight gain and food intake.
Decreased fatty acid synthesis and increased unsaponifiable lipid formation in the liver.
Caused a significant decrease in fatty acid synthesis and unsaponifiable lipid synthesis in adipose tissue at a dose of 4%.
[Purification Methods]

Crystallise the acid from EtOH. The trihydrazide has m 170o(dec) (from EtOH). [Brand.nge et al. Acta Chem Scand B 31 307 1977, Beilstein 3 I 186, 3 II 372, 3 III 1109, 3 IV 1284.]
Safety DataBack Directory
[WGK Germany ]

3
[RTECS ]

RA5365000
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

AGARIC ACID(666-99-9)MS
AGARIC ACID(666-99-9)1HNMR
AGARIC ACID(666-99-9)IR1
AGARIC ACID(666-99-9)IR2
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