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77-95-2

77-95-2 structure
77-95-2 structure

Name Quinic acid
Synonyms (1R,3R,4R,5R)-(-)-quinic acid
Kinicacid
(1S,3R,4s)-1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid
[1R-(1a,3a,4a,5b)]-1,3,4,5-Tetrahydroxycyclohexanecarboxylic Acid
CHINIC ACID
l-Chinic acid
D-(-)-quinic acid
5beta)]-alph
EINECS 201-072-8
(-)-quinic acid
Chinasaure
MFCD00003864
Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (1α,3α,4α)-
l-Kinic acid
Description D-(-)-Quinic acid is a cyclohexanecarboxylic acid and is implicated in the perceived acidity of coffee.
Related Catalog
Density 1.8±0.1 g/cm3
Boiling Point 438.4±45.0 °C at 760 mmHg
Melting Point 165-170 °C
Molecular Formula C7H12O6
Molecular Weight 192.167
Flash Point 233.1±25.2 °C
Exact Mass 192.063385
PSA 118.22000
LogP -2.01
Vapour Pressure 0.0±2.4 mmHg at 25°C
Index of Refraction 1.687
Water Solubility 400 g/l (20 ºC)

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GU8650000
CHEMICAL NAME :
Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (-)-
CAS REGISTRY NUMBER :
77-95-2
LAST UPDATED :
199307
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H12-O6
MOLECULAR WEIGHT :
192.19
WISWESSER LINE NOTATION :
L6TJ AVQ AQ CQ DQ EQ -D

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ZGEMAZ Zeitschrift fuer die Gesamte Experimentelle Medizin. (Berlin, Fed. Rep. Ger.) V.1-139, 1913-65. For publisher information, see REXMAS. Volume(issue)/page/year: 113,536,1944
Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes Xi
Risk Phrases R36/37/38
Safety Phrases S22-S24/25
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS GU8650000
HS Code 29181980
HS Code 29181980
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