6-Ethoxy-6-oxohexanoic acid

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Names

[ CAS No. ]:
626-86-8

[ Name ]:
6-Ethoxy-6-oxohexanoic acid

[Synonym ]:
EINECS 210-966-7
MFCD00004419
Adipic acid monoethyl ester
Hexanedioic acid, monoethyl ester
6-Ethoxy-6-oxohexanoic acid

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
285.7±13.0 °C at 760 mmHg

[ Melting Point ]:
28-29 °C(lit.)

[ Molecular Formula ]:
C8H14O4

[ Molecular Weight ]:
174.194

[ Flash Point ]:
110.8±13.3 °C

[ Exact Mass ]:
174.089203

[ PSA ]:
63.60000

[ LogP ]:
1.03

[ Vapour Pressure ]:
0.0±1.3 mmHg at 25°C

[ Index of Refraction ]:
1.448

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AV2030000
CHEMICAL NAME :
Adipic acid, monoethyl ester
CAS REGISTRY NUMBER :
626-86-8
BEILSTEIN REFERENCE NO. :
1769469
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C8-H14-O4
MOLECULAR WEIGHT :
174.22
WISWESSER LINE NOTATION :
QV4VO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
4100 mg/kg
TOXIC EFFECTS :
Behavioral - excitement Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 21(10),39,1977 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
10200 ug/m3/5H/17W-I
TOXIC EFFECTS :
Kidney, Ureter, Bladder - urine volume increased Kidney, Ureter, Bladder - proteinuria Nutritional and Gross Metabolic - body temperature increase
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 21(10),39,1977 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 3 mg/m3 JAN 1993

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
AV2030000

[ HS Code ]:
2918990090

Precursor & DownStream

Precursor

  • Ethyl 5-Bromovalerate
  • Carbon dioxide
  • ETHYL 6-HYDROXYHEXANOATE
  • Hexanoicacid, 6-amino-6-oxo-, ethyl ester
  • Ethyl 2-oxocyclopentanecarboxylate
  • ethyl 5-cyanopentanoate
  • Butyl iodide
  • ethyl (6-(2-methoxyethyl)pyridin-2-yl) adipate
  • Adipic acid
  • ethyl acetate

DownStream

  • Ethyl6-chloro-6-oxohexanoate(ThiocticAcidImpurity)
  • Benzenehexanoic acid, e-oxo-
  • 6-OXO-6-(2-THIENYL)HEXANOIC ACID
  • ethyl 6-(4-methoxyphenyl)-6-oxohexanoate
  • UNII:LW5786QCKT
  • ethyl 6-oxo-6-phenylhexanoate
  • N,N',N'-trimethylhexanediamide
  • ethyl 4-pentenoate
  • Lauric acid
  • Ethyl 2-oxocyclopentanecarboxylate

Customs

[ HS Code ]: 2918990090

[ Summary ]:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles

Preventive and post-infection control of Botrytis cinerea in tomato plants by hexanoic acid. Leyva MO, et al.

Plant Pathol. 57(6) , 1038-1046, (2008)


More Articles

Related Compounds

  • 5-(2-(4-chlorophenyl)hydrazono)-6-ethoxy-6-oxohexanoic acid
  • 6-[2-(2-hydroxyethoxy)ethoxy]-6-oxohexanoic acid
  • monomethyl adipate
  • 6-ethoxy-4,4-dimethyl-6-oxohexanoate
  • 6-ethenoxy-6-oxohexanoic acid
  • 6-chloro-6-oxohexanoic acid
  • [3,3-Difluoro-1-(2-methoxy-4-methylphenyl)cyclobutyl]methanamine
  • 2,2-Difluoro-1-(5-nitropyridin-2-yl)ethan-1-amine
  • 1-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-4,4-difluorocyclohexan-1-amine
  • 3,3-Difluoro-1-[2-(pyrrolidin-1-yl)pyridin-3-yl]cyclobutan-1-amine
  • 3-(3-Chloro-4-methylphenyl)-1,1-difluoropropan-2-amine
  • 2-[2-Chloro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine
  • 1,1-Difluoro-2-methyl-3-(pentafluorophenyl)propan-2-amine
  • 1-[2-Chloro-6-(trifluoromethyl)phenyl]-2,2-dimethylcyclopropan-1-amine
  • 1,1,1-trifluoro-3-(1-methyl-1H-indol-3-yl)propan-2-amine
  • 2-Methyl-2-[3-nitro-5-(trifluoromethyl)phenyl]propan-1-amine
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