基本描述

别名	葡萄花酸,庚酸
英文别名	1-heptanoic acid \| FT-0626923 \| ENANTHIC ACID (USP-RS) \| Heptanoic acid, natural, FG \| HSDB 5546 \| Artec ultra conditioning teat dip \| Enanthylic acid \| LMFA01010007 \| BRN 1744723 \| DB02938 \| Heptanoic acid, 96% \| MFCD00004426 \| NSC2192 \| NSC-2192 \| Hepth
规格或纯度	Standard for GC
英文名称	Heptanoic acid
应用	有机合成。用于生产庚酸酯类产品，作香料的原料。
储存温度	室温
运输条件	常规运输
产品介绍	有脂肪样气味，不纯时有恶臭。溶于醇、醚、二甲基甲酰胺和二甲亚砜，不溶于水。半数致死量（小鼠，静脉）1200mg/kg。有腐蚀性。有机合成。用于生产庚酸酯类产品，作香料的原料。

关联靶点（人）

CXCL8 Tchem Interleukin-8 (642 活性数据)

点击查看靶蛋白信息： CXCL8

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

关联靶点（其它种属）

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	Journal	PubMed Id	doi	Assay Aladdin ID

Slc22a20 Solute carrier family 22 member 20 (86 活性数据)

点击查看靶蛋白信息： Slc22a20

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

Slc22a6 Solute carrier family 22 member 6 (141 活性数据)

点击查看靶蛋白信息： Slc22a6

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

Bursaphelenchus xylophilus (372 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	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 活性数据)

点击查看靶蛋白信息： Nfe2l2

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

Rorc Nuclear receptor ROR-gamma (89407 活性数据)

点击查看靶蛋白信息： Rorc

活性类型	Relation	Activity value	Units	Action Type	Journal	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

EC号	203-838-7
分子类型	小分子
IUPAC Name	heptanoic acid
INCHI	InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
InChi Key	MNWFXJYAOYHMED-UHFFFAOYSA-N
Canonical SMILES	CCCCCCC(=O)O
Isomeric SMILES	CCCCCCC(=O)O
WGK Germany	1
RTECS	MJ1575000
UN Number	3265
Packing Group	I
分子量	130.18
Beilstein号	1744723
Reaxy-Rn	1744723
Reaxys-RN link address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744723&ln=

化学和物理性质

溶解性	微溶于水，溶于乙醇、乙醚。
密度	0.918
折光率	1.421-1.424
闪点(℉)	113 °C
闪点(℃)	113°C
沸点	223-223.4°C
熔点	-10.5°C
分子量	130.180 g/mol
XLogP3	2.500
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	5
精确质量Exact Mass	130.099 Da
单同位素质量Monoisotopic Mass	130.099 Da
拓扑极表面积Topological Polar Surface Area	37.300 Å²
重原子数Heavy Atom Count	9
形式电荷Formal Charge	0
复杂度Complexity	79.000
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	0
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	0
共价键合单元计数Covalently-Bonded Unit Count	1

安全和危险性（GHS）

一般危化品	一般危化品
象形图	GHS05, GHS07
信号词	Danger
危险声明	H314: 造成严重的皮肤灼伤和眼睛损伤
预防措施声明	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...）。 P405: 密闭存放 P501: 将内容物/容器处理到。。。 P264: 处理后要彻底洗手。 P260: 不要吸入灰尘/烟雾/气体/雾/蒸汽/喷雾。 P301+P330+P331: 如误吞咽：漱口。不要诱导呕吐。 P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。 P363: 再次使用之前，请清洗受污染的衣物。 P305+P354+P338: 如果进入眼睛：立即用水冲洗几分钟。取下隐形眼镜（如果有的话），并且操作简单。继续冲洗。 P302+P361+P354: 如果接触皮肤：立即脱掉所有被污染的衣服。立即用水冲洗几分钟。 P316: 立即寻求紧急医疗救助。
WGK Germany	1
RTECS	MJ1575000
Reaxy-Rn	1744723
Reaxys-RN link address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744723&ln=
Class	8
Merck Index	4660
个人防护装备	Faceshields,full-face respirator (US),Gloves,Goggles,multi-purpose combination respirator cartridge (US),type ABEK (EN14387) respirator filter

SDS英文版

技术规格说明书

Purity(GC)	99-100（%）
Refractive index n20/D	1.421-1.424
Appearance（H103518)	Colorless Liquid

技术规格说明书

质检证书（CoA,COO,BSE/TSE 和分析图谱)

C of A & Other Certificates(BSE/TSE, COO):

输入批号以搜索分析图谱:

通过匹配包装上的批号来查找并下载产品的 COA，每批产品都进行了严格的验证，您可放心使用！

找到5个结果

批号(Lot Number)	证书类型	日期	货号
D2523009	分析证书	25-04-30	H103518
D2517409	分析证书	25-04-07	H103518
K2223411	分析证书	24-09-06	H103518
H2307874	分析证书	23-08-12	H103518
C2226586	分析证书	22-03-21	H103518

此产品的引用文献

如何在您的发表作品中引用阿拉丁的产品和网站?

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58. Bincheng Gong, Lingqi Shen, Yu Wang, Zuguang Li, Guohua Zhu. (2025) Switchable Deep Eutectic Solvents for the Green Extraction of Tea Saponins From Camellia Oleifera Seed Meal. JOURNAL OF SEPARATION SCIENCE, 48 (1): (e70082). [PMID:39821524] [10.1002/jssc.70082]
59. Yutuo Zheng, Songyao Zhang, Xiaoyang Zhao, Xinrui Miao, Wenli Deng. (2024) Symmetry of Pyridine Derivatives Controlled Two-Dimensional Nanostructural Diversity by Co-Assembly with Aromatic Carboxylic Acids. LANGMUIR, [PMID:38470109] [10.1021/acs.langmuir.3c04009]
60. Yiquan Wang, Yuxiang Liang, Yiya Li, Wenqi Rui, Jingjian He, Mengya Zhao. (2024) Synthesis, tribological properties and oxidative stability of polyol esters base oils containing pentaerythritol complex esters. TRIBOLOGY INTERNATIONAL, 195 (109618). [10.1016/j.triboint.2024.109618]
61. Lingqi Shen, Yuan Yan, Xiaoyan Jiang, Xuerong Yang, Zhihui Zhang, Zuguang Li. (2025) Ultrasound-assisted ternary temperature-responsive deep eutectic solvents for extraction of carotenoids from tomato samples. FOOD CHEMISTRY, 473 (143065). [PMID:39994929] [10.1016/j.foodchem.2025.143065]

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溶液计算器

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计算溶液所需的质量、体积或浓度。

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复溶计算器

复溶计算器允许您快速计算试剂的体积，以复溶小瓶。只需输入试剂的质量和目标浓度，计算器将确定其余部分。

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所需的复溶浓度

正庚酸

库存信息

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作用机制

名称和识别符

化学和物理性质

安全和危险性（GHS）

技术规格说明书

质检证书（CoA,COO,BSE/TSE 和分析图谱)

此产品的引用文献

参考文献

溶液计算器

摩尔浓度计算器

稀释计算器

复溶计算器