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3031-98-9

3031-98-9 structure
3031-98-9 structure
  • Name: METHYL 2-KETO-L-GULONATE
  • Chemical Name: methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate
  • CAS Number: 3031-98-9
  • Molecular Formula: C7H12O7
  • Molecular Weight: 208.166
  • Create Date: 2016-09-16 19:37:51
  • Modify Date: 2024-01-12 11:23:30

Name methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate
Synonyms Methyl L-sorbosonate
Gulonic acid,2-keto-,methyl ester,L
Methyl L-xylo-hexulosonate
Methyl 2-keto-L-gulonate
2-Oxo-L-gulonsaeure-methylester
L-Sorbosonic acid, methyl ester
Xylohexulosonic acid,methyl ester
2-Keto-L-gulonic acid methyl ester
2-Keto-l-gulonsaeuremethylester
Density 1.5±0.1 g/cm3
Boiling Point 495.4±45.0 °C at 760 mmHg
Melting Point 158-159 °C
Molecular Formula C7H12O7
Molecular Weight 208.166
Flash Point 204.6±22.2 °C
Exact Mass 208.058304
PSA 124.29000
LogP -2.06
Vapour Pressure 0.0±2.9 mmHg at 25°C
Index of Refraction 1.535

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ZF1500000
CHEMICAL NAME :
Xylohexulosonic acid, methyl ester
CAS REGISTRY NUMBER :
3031-98-9
LAST UPDATED :
197901
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H12-O7
MOLECULAR WEIGHT :
208.19
WISWESSER LINE NOTATION :
Q1YQYQYQVVO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02419
HS Code 2918990090

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3031-98-9

Literature: ARCHER-DANIELS-MIDLAND COMPANY Patent: EP1206435 B1, 2004 ; Location in patent: Page column 8-9 ;

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3031-98-9 structure

3031-98-9

Literature: Drefahl; Gross Journal fuer Praktische Chemie (Leipzig), 1955 , vol. <4> 1, p. 153,154

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3031-98-9 structure

3031-98-9

Literature: Rhone Poulenc Rorer S.A. Patent: US5391770 A1, 1995 ;

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3031-98-9 structure

3031-98-9

Literature: Reichstein; Gruessner Helvetica Chimica Acta, 1934 , vol. 17, p. 311,319 Full Text Show Details Sumiki; Mitsunaga Nippon Nogei Kagaku Kaishi, 1951 , vol. 25, p. 198 Chem.Abstr., 1953 , p. 10643
Precursor  4

DownStream  1

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%