1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid

CAS No.
77-95-2
CCD No.
CCD00003699
Formula
C7 H12 O6
MolWeight
192.166

Basic Information

Product Name: 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid
CAS: 77-95-2
English Synonyms: CHINASAURE ; D-(-)-KINIC ACID ; (3R,5R)-1,3,4,5-TETRAHYDROXYCYCLOHEXANE-1-CARBOXYLIC ACID ; D-(-)-QUINIC ACID ; D-QUINIC ACID ; (-)-QUINIC ACID ; CHINIC ACID ; KINIC ACID ; 1,3,4,5-TETRAHYDROXYCYCLOHEXANECARBOXYLIC ACID ; D-(-)-CHINIC ACID ; (-)-1,3,4,5-TETRAHYDROXYCYCLOHEXANECARBOXYLIC ACID ; QUINIC ACID ; D-(−)-QUINIC ACID
MDL Number.: MFCD00003864
H bond acceptor: 6
H bond donor: 5
Smile: C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)O)O)O
InChi: InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5-,7+/m1/s1
InChiKey: InChIKey=AAWZDTNXLSGCEK-WYWMIBKRSA-N

Property

Melting Point: 166-168℃/166-168℃
Boiling Point: DENSITY: 1.64 G/CM3 20 DEG C
Comments: OPTICAL ACTIVITY: [ALPHA]20/D -43.9 DEG, C = 11.2 IN H2O
RTECS: GU8650000
UNSPSC: 12352100
WGK: 3

Safety information

Symbol: GHS05 GHS05
Signal word: Danger
Hazard statements: H314
Precautionary statements: P280,P305+P351+P338,P310
Safe Code: S:S24/25;
WGK Germany: 3

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