柠檬酸

CAS 77-92-9 · C₆H₈O₇ · MW 192.12 g/mol

关于柠檬酸

柠檬酸 是一种化学品，登记号为 CAS 77-92-9，分子式为 C₆H₈O₇，摩尔质量为 192.12 g/mol。

该分子包含 21 个原子，通过 20 个化学键连接。该化合物的完整系统 IUPAC 名称为 2-hydroxypropane-1,2,3-tricarboxylic acid。上方的交互式 3D 模型可查看原子的空间排列——您可以用鼠标旋转、用滚轮缩放，并在骨架 / 球棍 (Ball & Stick) / 空间填充 (Space Fill) 显示模式之间切换。

在理化性质方面，分配系数 logP = -1.7 (负值，亲水性化合物)，极性表面积 PSA = 132 Å²，4 个氢键供体和 7 个氢键受体。这些参数对于评估生物利用度以及与生物分子的相互作用至关重要。

该化合物的化学数据来自 PubChem（NIH NLM NCBI），全球最大的化学数据库之一。所有信息均自动更新，并附有符合 CLP 法规（EC 1272/2008）的 GHS 危险说明翻译。上方的小部件可用于教育、研究和商业用途。

理化性质

Molecular formula	C₆H₈O₇
Masa molowa	192.12 g/mol
IUPAC	2-hydroxypropane-1,2,3-tricarboxylic acid
SMILES	`C(C(=O)O)C(CC(=O)O)(C(=O)O)O`
InChIKey	`KRKNYBCHXYNGOX-UHFFFAOYSA-N`
logP (XLogP3)	-1.7
PSA	132 Å²
HBD / HBA	4 / 7
PubChem CID	CID 311 ↗

GHS 安全

Signal word: Warning

GHS07

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

科学文献

Related literature

10 articles · 7 open access · Sources: PubMed, OpenAlex, Semantic Scholar

📈 Publication timeline (10 articles)

Bar height = number of articles per year. Hover dla szczegółów.

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Di- and tetranuclear gadolinium (III) complexes of 2-hydroxypropane-1,2,3-tricarboxylic acid and 1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid : identification and characterization

Mohammed Riri, Farid Hadhoudi, Mustapha Hor et al. (2017) · International Journal of Advanced Chemistry

Open AccessDOI ↗PDF ↗

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4,4′-Bipyridine–2-hydroxypropane-1,2,3-tricarboxylic acid (3/2)

(2009) · Acta Crystallographica Section E

Open AccessDOI ↗PDF ↗

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A Novel Biodegradable Poly (Hydroxybutanedioic Acid-co-2-hydroxypropane-1,2,3-tricarboxylic Acid) Copolymer for Water Treatment Applications

N. Mithil Kumar, K. Kanny (2013) · Open Journal of Organic Polymer Materials

Cytowania: 8Open AccessDOI ↗PDF ↗

Antimicrobial Property of 2-Hydroxypropane-1,2,3-Tricarboxylic Acid Isolated from Citrus microcarpa Extract

Seong Wei Lee, Musa Najiah (2009) · Agricultural Sciences in China

Cytowania: 11$ PaywallDOI ↗

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Optimization of Molecular Modeling and Spectroscopic Studies of 2-Acetoxybenzoic Acid with 2-Hydroxypropane-1,2,3-Tricarboxylic Acid Crystal

C. Muthuselvi, S. Amirthakan, M. Saranya (2021) · Current Research in Chemistry

Cytowania: 2Open AccessDOI ↗PDF ↗

Solubility of 2-Hydroxypropane-1,2,3-tricarboxylic Acid Monohydrate in Different Binary Solvents from (278.15 to 303.15) K

Yanan Qin, Xuemei Wang, Songgu Wu et al. (2014) · Journal of Chemical & Engineering Data

Cytowania: 5$ PaywallDOI ↗

Thermal and flammable properties of rigid PUR–PIR foams obtained by using new compounds based on 2-hydroxypropane-1,2,3-tricarboxylic acid

Joanna Liszkowska, Bogusław Czupryński, Joanna Paciorek-Sadowska et al. (2015) · Journal of Cellular Plastics

Cytowania: 5$ PaywallDOI ↗

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Scientific Opinion on the safety evaluation of the active substances citric acid (E330) and sodium hydrogen carbonate (E500ii), used as carbon dioxide generators, together with liquid absorbers cellulose and polyacrylic acid sodium salt crosslinked, in active food contact materials

EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF) (2013) · EFSA Journal

Open AccessDOI ↗PDF ↗

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Multifunctional poly(citric acid)-based ionic liquid polymer composite for scale control and emulsion stabilization: structural and interfacial mechanistic evaluation

Mostafa Y. Nassar, Elbadawy A. Kamoun, Norah Alsadun et al. (2026) · Scientific Reports

Open AccessDOI ↗PDF ↗

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Safety assessment of the active substances citric acid and sodium hydrogen carbonate for use in active food contact materials

EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF) (2016) · EFSA Journal

Cytowania: 4Open AccessDOI ↗PDF ↗

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

同义词

citric acid · 77-92-9 · 2-hydroxypropane-1,2,3-tricarboxylic acid · Citric acid, anhydrous · Aciletten · Anhydrous citric acid · Citro · Citretten · Citric acid anhydrous · Chemfill · Hydrocerol A · 1,2,3-Propanetricarboxylic acid, 2-hydroxy- · 2-hydroxy-1,2,3-propanetricarboxylic acid · Kyselina citronova · 2-Hydroxytricarballylic acid

数据来源

📊 PubChem CID 311 — NIH
🔬 NIST WebBook — spektroskopia
🌐 Wikidata
💊 ChEMBL — bioaktywność