666-99-9

Basic information

• Product Name: AGARIC ACID
• Synonyms: 3-nonadecanetricarboxylicacid,2-hydroxy-2;agaric;alpha-cetylcitricacid;laricicacid;n-hexadecylcitricacid;2-HYDROXY-1,2,3-NONADECANETRICARBOXYLIC ACID;AGARICIC ACID;AGARIC ACID
• CAS NO: 666-99-9
• Molecular Formula: C₂₂H₄₀O₇
• Molecular Weight: 416.55
• EINECS: 211-566-5
• Mol File: 666-99-9.mol
• Article Data: 2

Chemical Properties

• Melting Point: 142° (dec)
• Boiling Point: 454.85°C (rough estimate)
• Flash Point: 275.9°C
• Appearance: /
• Density: 1.0867 (rough estimate)
• Vapor Pressure: 1.67E-12mmHg at 25°C
• Refractive Index: 1.5300 (estimate)
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility: Aqueous Base (Slightly), DMSO (Slightly)
• PKA: 2.93±0.36(Predicted)
• Merck: 13,186
• CAS DataBase Reference: AGARIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: AGARIC ACID(666-99-9)
• EPA Substance Registry System: AGARIC ACID(666-99-9)

Safety Data

• WGK Germany: 3
• RTECS: RA5365000
• Hazardous Substances Data: 666-99-9(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 666-99-9 differently. You can refer to the following data:
1. antiperspirant
2. Agaric Acid has been used as antiperspirant.
3. Agaric acid (Agaricic acid), an inducer of mitochondrial permeability transition (MPT), is used to study the MPT process at the level of the ADP and ATP exchange via the adenine nucleotide carrier/translocase.

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.]

InChI:InChI=1/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)

Upstream product

• 42065-60-1 2-hydroxy-nonadecane-1,2,3-tricarboxylic acid triethyl ester 
• 116632-15-6 2-hydroxy-nonadecane-1,2,3-tricarboxylic acid trimethyl ester 

Downstream Products

• 64-19-7 acetic acid 
• 57-11-4 stearic acid 
• 629-66-3 nonadecan-2-one 
• 71595-37-4 3-hexadecyl-4-methylmaleic anhydride 

Relevant articles and documents

Optically active phenoxypropionic esters

Optically active compounds of the formula I STR1 where R is C1 -C12 -alkyl or -perfluoroalkyl in which one or two non-adjacent CH2 or CF2 groups can also be replaced by --O-- and/or --CO-- and/or --CO--O-- and/or --CH=CH-- and/or --CH-halogen-- and/or --CHCN-- and/or --0--CO--CH-halogen-- and/or --O--CO--CHCN--, or is C1 -C12 -alkyl which can have a terminal chemically reactive group and in which a CH2 group can be replaced by --O--, A1 and A2 are each, independently of one another, 1,4-phenylene which is unsubstituted or substituted by one or two F and/or Cl and/or Br atoms and/or CH3 groups and/or CN groups and in which one or two CH groups can also be replaced by N, 1,4-cyclohexylene in which one or two non-adjacent CH2 groups can also be replaced by --O-- and/or --S--, 1,4-piperidinediyl, 1,4-bicyclo[2.2.2]octylene, 2,6-naphthalenediyl, decahydro-2,6-naphthalenediyl or 1,2,3,4-tetrahydro-2,6-naphthalenediyl, A3 is unsubstituted or substituted phenyl, Z is --CO--O--, --O--CO--, --CH2 CH2 --, --OCH2 --, --CH2 O--, --C C-- or a single bond and m is 0, 1, 2 or 3.