Shikimic acid
Names
[ CAS No. ]:
138-59-0
[ Name ]:
Shikimic acid
[Synonym ]:
(3R,4S,5R)-3,4,5-Trihydroxycyclohex-1-enecarboxylic acid
MFCD00066278
3,4,5-Trihydroxycyclohex-1-enecarboxylic acid
3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid
(3R,4S,5R)-(-)-3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic Acid
EINECS 205-334-2
1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-
3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid
(3R,4S,5R)-(−)-3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid
3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid
Shikimic Acid
Biological Activity
[Description]:
[Related Catalog]:
[Target]
Human Endogenous Metabolite
[In Vitro]
[References]
[Related Small Molecules]
Chemical & Physical Properties
[ Density]:
1.7±0.1 g/cm3
[ Boiling Point ]:
400.5±45.0 °C at 760 mmHg
[ Melting Point ]:
185-187 °C(lit.)
[ Molecular Formula ]:
C7H10O5
[ Molecular Weight ]:
174.151
[ Flash Point ]:
210.1±25.2 °C
[ Exact Mass ]:
174.052826
[ PSA ]:
97.99000
[ LogP ]:
-0.92
[ Vapour Pressure ]:
0.0±2.1 mmHg at 25°C
[ Index of Refraction ]:
1.680
[ Water Solubility ]:
18 g/100 mL (20 ºC)
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- GW4600000
- CHEMICAL NAME :
- 1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-
- CAS REGISTRY NUMBER :
- 138-59-0
- LAST UPDATED :
- 199510
- DATA ITEMS CITED :
- 11
- MOLECULAR FORMULA :
- C7-H10-O5
- MOLECULAR WEIGHT :
- 174.17
- WISWESSER LINE NOTATION :
- L6UTJ AVQ CQ DQ EQ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 4000 mg/kg
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 40 mg/kg
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors
- TYPE OF TEST :
- Dominant lethal test
- TYPE OF TEST :
- Dominant lethal test
MUTATION DATA
- TYPE OF TEST :
- Morphological transformation
- TEST SYSTEM :
- Rodent - hamster Kidney
- DOSE/DURATION :
- 250 mg/L
- REFERENCE :
- TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 19,43,1983 *** REVIEWS *** IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 40,47,1986 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 40,47,1986 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 TOXICOLOGY REVIEW CTRRDO Cancer Treatment Reports. (Washington, DC) V.60-71, 1976-87. For publisher information, see JNCIEQ. Volume(issue)/page/year: 60,1171,1976
Safety Information
[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
[ Hazard Codes ]:
Xi: Irritant;
[ Risk Phrases ]:
R36/37/38
[ Safety Phrases ]:
S22-S24/25
[ RIDADR ]:
NONH for all modes of transport
[ WGK Germany ]:
3
[ RTECS ]:
GW4600000
[ HS Code ]:
29181980
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2918199090
[ Summary ]:
2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%
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