CAS 77-95-2 MFCD00003864-(1α,3R,4α,5R)-1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid (-)-1,3,4,5-四羟基-1-环己甲酸 TAO{mole}

(1α,3R,4α,5R)-1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid (-)-1,3,4,5-四羟基-1-环己甲酸

CAS 77-95-2 MFCD00003864

化学结构图

SMILES: O=C(O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1

化学属性

Mol. Formula	C7H12O6
Mol. Weight	192
Density	1.828
Melting Point	166-168
TSCA	No
Solubility	400 G/L (20 ºC)
Refractive index	-43.5 ° (C=10, H2O)

别名和识别编码

Chemical Name	(1α,3R,4α,5R)-1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid
Synonym	(-)-1α,3α,4α,5β-Quinic acid (-)-QUINIC ACID (-)-Quinic acid (1R,3R,4R,5R)(-)quinic acid (1R,3R,4R,5R)-(-)-quinic acid (1R,3R,4S,5R)-1,3,4,5-Tetrahydroxycyclohexane-1-carboxylic Acid (Quinic acid) (3R,5R)-1,3,4,5-TETRAHYDROXY-CYCLOHEXANECARBOXYLIC ACID 1,3,4,5-TETRAHYDROXYCYCLOHEXANECARBOXYLIC ACID 1,3,4,5-Tetrahydroxy-(1α,3R, 1,3,4,5-Tetrahydroxycyclohexancarbonsäure 1,3,4,5-tetrahydroxy-,[1R-(1-.alpha.,3-.alpha.,4-.alpha.,5-.beta.)]-Cyclohexanecarboxylicacid Acid, Quinic CHINIC ACID Chinasaure D(-)-1,3,4,5-Tetrahydroxycyclohexan-1-carbonsäure D(-)-Chinasäure D-(-)-奎宁酸 D-(-)-奎尼酸 Quinate Quinic Acid Quinic acid, (-)- {} {} { {} {} {u {} {} {uni_hamburg 六氢-1,3,4,5,-四羟基苯甲酸 {Chemica
MDL Number	MFCD00003864
PubChem Substance ID	6508
Beilstein Registry Number	2212412
CAS Number	77-95-2
EC Number	201-072-8
Merck Number	8059
Chemical Name Translation	(-)-1,3,4,5-四羟基-1-环己甲酸
Reaxys-RN	2212412
Wiswesser Line Notation	L6TJ AVQ AQ CQ DQ EQ -D
LabNetwork Molecule ID	LN00238858
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

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安全信息

Hazard statements

H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
H315 Causes skin irritation 会刺激皮肤
H317 May cause an allergic skin reaction 可能导致皮肤过敏
H319 Causes serious eye irritation 严重刺激眼睛
H335 May cause respiratory irritation 可能导致呼吸道刺激

RTECSGU8650000

GHS Symbol

Precautionary statements

P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P302+P352
P304+P340
P305+P351+P338
P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
P332+P313
P333+P313
P337+P313
P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
P403+P233
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

WGK Germany3

Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Signal word Warning Danger

Safety Statements

Risk Statements

R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应

Storage condition 储存温度2-8℃

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

其他信息

Alfa Aesar:D-(-)-奎尼酸,98% D-(-)-Quinic acid, 98%(77-95-2)
MSDS 信息:1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid(77-95-2).msds
TCI Shanghai:D-(-)-奎尼酸 D-(-)-Quinic Acid,>;98.0%(T)(77-95-2)
Sigma Aldrich:77-95-2(sigmaaldrich)
图谱信息:右旋奎宁酸(77-95-2)红外图谱(IR2) 右旋奎宁酸(77-95-2)Raman光谱右旋奎宁酸(77-95-2)核磁图( 13 CNMR) 右旋奎宁酸(77-95-2)核磁图( 1 HNMR) 右旋奎宁酸(77-95-2)红外图谱(IR1)
右旋奎宁酸价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 Q0009 D-(-)-奎尼酸 D-(-)-Quinic Acid 25G 615元 2010/06/21 160501000 右旋奎宁酸 D(-)-Quinic acid 98+% 100 GR 1961元 2010/06/21 160500250 右旋奎宁酸 D(-)-Quinic acid 98+% 25 GR 608元
Acros Organics:D-(-)-奎宁酸 D(-)-Quinic acid, 98+%(77-95-2)
MOL 文件:77-95-2.mol
比旋光度:-44 ° (c=11.2, H2O)
海关编码:29181980