基本描述

别名	NSC 49103, C6:2n-2,4, NSC 50268, NSC 35405, 2,4-己二烯酸, 山梨酸
英文别名	(2-butenylidene) acetic acid \| CHEBI:35962 \| E-sorbic acid \| SCHEMBL1647 \| trans-trans-2,4-Hexadienoic acid \| DTXSID3021277 \| trans,trans-2,4-Hexadienoic acid \| alpha-trans-gamma-trans-Sorbic acid \| s4983 \| SORBIC ACID [HSDB] \| trans,trans-SA \| (2E,4E)-2,
规格或纯度	FCC, ≥99%
英文名称	2,4-Hexadienoic acid
储存温度	避光
运输条件	常规运输
作用类型	抑制剂
产品介绍	Other Notes Download our Flavors and Fragrances Catalog to view our entire product line. Subscribe to our Newsletter to keep up to date on our latest Flavors and Fragrances offerings.
纯度	≥99%

关联靶点（人）

NR3C1 Tclin Glucocorticoid receptor (14987 活性数据)

点击查看靶蛋白信息： NR3C1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

AR Tclin Androgen Receptor (11781 活性数据)

点击查看靶蛋白信息： AR

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 活性数据)

点击查看靶蛋白信息： GMNN

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

关联靶点（其它种属）

Hdac6 Histone deacetylase 6 (222 活性数据)

点击查看靶蛋白信息： Hdac6

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

HD1 Histone deacetylase (38 活性数据)

点击查看靶蛋白信息： HD1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Pseudomonas aeruginosa (123386 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Staphylococcus aureus (210822 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Staphylococcus epidermidis (22802 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Escherichia coli (133304 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Enterococcus hirae (484 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Aspergillus niger (16508 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Bacillus subtilis (32866 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Saccharomyces cerevisiae (19171 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Zygosaccharomyces bailii (36 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Candida albicans (78123 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

GCN5 Histone acetyltransferase GCN5 (89 活性数据)

点击查看靶蛋白信息： GCN5

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

TGR Thioredoxin glutathione reductase (28579 活性数据)

点击查看靶蛋白信息： TGR

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

作用机制

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

名称和识别符

PubChem SID	504759740
EC号	203-768-7
分子类型	小分子
IIUPAC Name	(2E,4E)-hexa-2,4-dienoic acid
INCHI	1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+
InChi Key	WSWCOQWTEOXDQX-MQQKCMAXSA-N
Smiles	CC=CC=CC(=O)O
Isomeric SMILES	C/C=C/C=C/C(=O)O
分子量	112.13
Beilstein号	1098547
Reaxy-Rn	1741831
Reaxys-RN link address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1741831&ln=

化学和物理性质

溶解性	乙醇：10%，透明，无色至微黄色
密度	1.2g/cm3at 20°C
敏感性	对光敏感
闪点(℃)	127°C
沸点	228℃
熔点	132-135°C
分子量	112.130 g/mol
XLogP3	1.300
氢键供体数Hydrogen Bond Donor Count	1
氢键受体数Hydrogen Bond Acceptor Count	2
可旋转键计数Rotatable Bond Count	2
精确质量Exact Mass	112.052 Da
单同位素质量Monoisotopic Mass	112.052 Da
拓扑极表面积Topological Polar Surface Area	37.300 Å²
重原子数Heavy Atom Count	8
形式电荷Formal Charge	0
复杂度Complexity	122.000
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	0
未定义的原子立体中心计数Undefined Atom Stereocenter Count	0
定义的键立体中心计数Defined Bond Stereocenter Count	2
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	2
共价键合单元计数Covalently-Bonded Unit Count	1

安全和危险性（GHS）

象形图	GHS07
信号词	警告
危险声明	H315: 引起皮肤刺激 H319: 引起严重眼睛刺激 H335: 可能引起呼吸道刺激
预防措施声明	P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾 P264: 处理后要彻底洗手。 P271: 仅在室外或通风良好的地方使用。 P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。 P321: 特殊处理（请参阅此标签上的...）。 P302+P352: 如皮肤沾染：用水充分清洗。 P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。 P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。 P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。 P405: 密闭存放 P403+P233: 存放在通风良好的地方。保持容器密闭。 P501: 将内容物/容器处理到。。。 P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。 P337+P317: 如果眼睛刺激持续：寻求医疗帮助。 P332+P317: 如果出现皮肤刺激：请寻求医疗帮助。 P319: 如果你感到不适，请寻求医疗帮助。
WGK Germany	1
RTECS	WG2100000
个人防护装备	dust mask type N95 (US),Eyeshields,Gloves

质检证书（CoA,COO,BSE/TSE 和分析图谱)

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批号(Lot Number)	证书类型	货号
G2530064	分析证书	H431430
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引用文献

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