CAS 124-04-9|Adipic acid

Introduction:Basic information about CAS 124-04-9|Adipic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameAdipic acid
CAS Number124-04-9Molecular Weight146.141
Density1.3±0.1 g/cm3Boiling Point338.5±15.0 °C at 760 mmHg
Molecular FormulaC6H10O4Melting Point151-154 °C(lit.)
MSDSChineseUSAFlash Point196 ºC
Symbol
GHS07
Signal WordWarning

Names

NameAdipic acid
SynonymMore Synonyms

Adipic acid BiologicalActivity

DescriptionAdipic acid is found to be associated with HMG-CoA lyase deficiency, carnitine-acylcarnitine translocase deficiency, malonyl-Coa decarboxylase deficiency, and medium Chain acyl-CoA dehydrogenase deficiency, which are inborn errors of metabolism.
Related CatalogNatural Products >>Acids and AldehydesResearch Areas >>Metabolic Disease
Target

Human Endogenous Metabolite

References

[1]. G.Frauendienst-Egger, Friedrich K. Trefz (2017). MetaGene: Metabolic & Genetic Information Center. METAGENE consortium.

Chemical & Physical Properties

Density1.3±0.1 g/cm3
Boiling Point338.5±15.0 °C at 760 mmHg
Melting Point151-154 °C(lit.)
Molecular FormulaC6H10O4
Molecular Weight146.141
Flash Point196 ºC
Exact Mass146.057907
PSA74.60000
LogP0.08
Vapour density5 (vs air)
Vapour Pressure0.0±1.6 mmHg at 25°C
Index of Refraction1.476
InChIKeyWNLRTRBMVRJNCN-UHFFFAOYSA-N
SMILESO=C(O)CCCCC(=O)O
StabilityStable. Substances to be avoided include ammonia, strong oxidizing agents.
Water Solubility1.44 g/100 mL (15 ºC)

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AU8400000
CHEMICAL NAME :
Adipic acid
CAS REGISTRY NUMBER :
124-04-9
BEILSTEIN REFERENCE NO. :
1209788
LAST UPDATED :
199712
DATA ITEMS CITED :
13
MOLECULAR FORMULA :
C6-H10-O4
MOLECULAR WEIGHT :
146.16
WISWESSER LINE NOTATION :
QV4VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,315,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>11 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 48(9),72,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
275 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Gastrointestinal - other changes Blood - hemorrhage
REFERENCE :
JAFCAU Journal of Agricultural and Food Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1953- Volume(issue)/page/year: 5,759,1957
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1900 mg/kg
TOXIC EFFECTS :
Gastrointestinal - other changes
REFERENCE :
JAFCAU Journal of Agricultural and Food Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1953- Volume(issue)/page/year: 5,759,1957
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
680 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Blood - hemorrhage
REFERENCE :
JAFCAU Journal of Agricultural and Food Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1953- Volume(issue)/page/year: 5,759,1957
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>11 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 48(9),72,1983 *** REVIEWS *** ACGIH TLV-TWA 5 mg/m3 DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 4 mg/m3 JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84427 No. of Facilities: 1068 (estimated) No. of Industries: 21 No. of Occupations: 42 No. of Employees: 14846 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84427 No. of Facilities: 6259 (estimated) No. of Industries: 54 No. of Occupations: 66 No. of Employees: 140635 (estimated) No. of Female Employees: 77996 (estimated)

Safety Information

Symbol
GHS07
Signal WordWarning
Hazard StatementsH319
Precautionary StatementsP305 + P351 + P338
Personal Protective Equipmentdust mask type N95 (US);Eyeshields;Gloves
Hazard CodesXi:Irritant
Risk PhrasesR36
Safety PhrasesS26
RIDADRUN 9077
WGK Germany1
RTECSAU8400000
Hazard Class9.2
HS Code2917120001

Customs

HS Code2917120001
SummaryHS: 2917120001 adipic acid Tax rebate rate:13.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%

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Synonyms

Acifloctin
1,6-Hexanedioic acid
Adilactetten
1,4-Butanedicarboxylic acid
EINECS 204-673-3
hexane-1,6-dicarboxylic acid
hexanedioic acid
Acinetten
Adipic acid
MFCD00004420
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