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Caffeic acid 咖啡酸

规格: 98%

CAS: 331-39-5

产品编号: H98716

MDL: MFCD00004392

品牌: INFI

Chemical Name	3,4-Dihydroxycinnamic Acid
CAS Number	331-39-5
Synonym	(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)- 3,4-Dihydroxybenzeneacrylic acid 3,4-Dihydroxycinnamic acid 3,4-dihydroxy-cinnamicaci 3,4-二羟基肉桂酸(咖啡酸)/CAFFEIC ACID 3,4-二羟基苯乙烯酸 3,4-二羥桂皮酸 3-(3,4-Dihydroxyphenyl)-2-propenoic acid 3-(3,4-Dihydroxyphenyl)propenoic acid 3-(3,4-dihydroxyphenyl)-2-propenoicaci 4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene Caffeic acid Caffeicacid,96% 咖啡酸
PubChem Substance ID	689043
EC Number	206-361-2
Beilstein Registry Number	1954563
MDL Number	MFCD00004392
Reaxys-RN	1954563
Merck Number	1635
Chemical Name Translation	咖啡酸
Wiswesser Line Notation	QV1U1R CQ DQ
InChIKey	QAIPRVGONGVQAS-DUXPYHPUSA-N
LabNetwork Molecule ID	LN00222697
InChI	InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+

GHS Symbol

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1613 gm/kg/96W-C
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Kidney, Ureter, Bladder - Kidney tumors
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   51,5655,1991

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 728 gm/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Gastrointestinal - tumors
   Kidney, Ureter, Bladder - Kidney tumors
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   51,5655,1991

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >721 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   YKKZAJ Yakugaku Zasshi.  Journal of Pharmacy.  (Nippon Yakugakkai, 2-12-15
   Shibuya, Shibuya-ku, Tokyo 150, Japan)  No.1-    1881-
   Volume(issue)/page/year: 104,793,1984

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   36,227,1976

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 200 mg/L
REFERENCE :
   CALEDQ Cancer Letters (Shannon, Ireland).  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1975- Volume(issue)/page/year:
   14,251,1981

TYPE OF TEST            : Gene conversion and mitotic recombination
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 300 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 135,109,1984

TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 307 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 204,219,1988

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 480 mg/kg
SEX/DURATION            : female 5-12 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   36,227,1976

WGK Germany	3
Hazard statements
H315 Causes skin irritation 会刺激皮肤 H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害 H351 Suspected of causing cancer 怀疑致癌 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
Personal Protective Equipment	Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Hazard Codes	Xn Xn,Xi
RTECS	GD8950000
Precautionary statements
P201 Obtain special instructions before use. 使用前获取专门指示。 P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。 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。 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。 P281 Use personal protective equipment as required. 使用所需的个人防护装备。 P302+P350 P302+P352 P302+P352+P332+P313+P362+P364 P305+P351+P338 P308+P313 P332+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 P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word	Warning
Safety Statements
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见； S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
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 R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
Storage condition	Store at RT. 密封保存。

一种天然的存在于植物中的酚酸化合物，是一种抗氧剂，抑制白三烯（leukotrienes）的合成（白三烯涉及到免疫、发炎和敏感症的调控），抑制 Cu2+-诱导的 LDL的氧化。

{MCE} [2]. Liang G, et al. The protective effect of caffeic acid on global cerebral ischemia-reperfusion injury in rats. Behav Brain Funct. 2015 Apr 18;11:18.

{TRC} Krasemann, et al.: Arch. Pharm., et al.: 293, 721 (1960),

{ALD} Merck: 14,1635

Beilstein:10,436

{TRC} Neish, et al.: Can. J. Biochem Physiol., 37, 1431 (1959),

{TRC} Wolfrom, et al.: J. Agric. Food Chem., 8, 58 (1960),

{MCE} [1]. Pradhananga S, et al. Caffeic acid exhibits anti-pruritic effects by inhibition of multiple itch transmission pathways in mice. Eur J Pharmacol. 2015 Sep 5;762:313-21.

{MCE} [2]. Liang G, et al. The protective effect of caffeic acid on global cerebral ischemia-reperfusion injury in rats. Behav Brain Funct. 2015 Apr 18;11:18.

化学属性

Mol. Formula	C9H8O4
Mol. Weight	180
Melting Point	194-198
Density	1.478
TSCA	No
Solubility	溶于热水
Stability	对湿度敏感
Appearance	黄色结晶。溶于热水及乙醇。 powder

*以上化合物性质及应用等信息仅供参考

手性催化剂及配体

合成砌块

医药中间体

Caffeic acid 咖啡酸

规格: 98%

化学属性

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