基本情報
- CAS
1052-04-6- 標準SMILES
O=C(O)CCCCCCCCCC(=O)O- InChIKey
LWBHHRRTOZQPDM-UHFFFAOYSA-N- 分子式
- C11H20O4
- 平均分子量
- 216.27 g/mol
- 単同位体質量
- 216.13615911
概要
Undecanedioic acid is an alpha,-dicarboxylic acid that is nonane with two carboxylic acid groups at positions C-1 and C-9. It has a role as a metabolite. It is a conjugate acid of an undecanedioic acid anion.
名称と識別子
- 優先名称
- Undecanedioic Acid
- IUPAC
- undecanedioic acid
- 現地名
- 1,9-ノナンジカルボン酸
- 英語名
- Undecanedioic acid
- 分子式
- C11H20O4
- 分子量
- 216.27
名称と別名
UNDECANEDIOIC ACID1852-04-61,9-Nonanedicarboxylic acid1,11-Undecanedioic acidHendecanedioic acidUndecanedionic acidUNII-7059GFK8NVHendecanedioateUndecanedioateUndecanedionate7059GFK8NVDTXSID0044862
名称をさらに表示
1,9-ノナンジカルボン酸ウンデカン二酸ノナン-1,9-ジカルボン酸ノナメチレンジカルボン酸ウンデカンジオン酸TridecanediamineN0333UndecaNSC400241bmse000880
Undecandioic acidEINECS 217-440-6NSC-4002411,11-Undecanedioate1,9-NonanedicarboxylateEC 217-440-6NSC 400241DTXCID8024862
データベース識別子
- CAS
1052-04-6、1852-04-6- PubChem CID
- 15816
- DTXSID
DTXSID0044862- ChEMBL
CHEMBL3183300- ChEBI
CHEBI:73713- UNII
- 7059GFK8NV
物性
構造計算による物性
- XLogP
- 2.7
- 極性表面積
- 74.6 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 10
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 169
実験および物理化学的性質
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Dicarboxylic acids [FA0117]
SpringerMaterials PropertiesCrystal structure
Solubility5.1 mg/mL
Melting Point108 - 110 °C
Physical Description
Dry Powder; Other Solid
Solid
Collision Cross Section149.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0044862]
物理化学的性質
- 融点
- 108 · 108-110 °C (lit.)
- 沸点
- 389.33 °C · 389.33°C (rough estimate)
- 比重(密度)
- 1.1629 · 1.1629 (rough estimate)
- 蒸気圧
- 10 Pa · 10Pa at 20℃
- 屈折率
- 1.4421 · 1.4421 (estimate)
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- 10 mg/mL、透明 · メタノール: 10 mg/mL、透明
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 0.8% (6 of 751) of reports.
Warning
H315 (18.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 751 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
危険有害性情報
Regulatory Information
Chemical: Undecanedioic acid
Undecanedioic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Undecanedioic acid are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Undecanedioic acid (EC: 217-440-6)
Undecanedioic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Skin Irrit. 2 (18.1%)
Skin Irrit. 2 (100%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29171900
- risk_code
- 36/37/38
- 化審法
- (2)-878
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2
化学と産業
薬理情報
Cellular LocationsMembrane
用途と製造
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesCorrosion inhibitor
Industry UsesBinder
General Manufacturing Information
Paint and Coating Manufacturing
Undecanedioic acid: ACTIVE
応用分野
使用Undecanedioic Acid is a bioactive compound found in Polygala tenuifolia root which is used as a functional food due to its attractive health benefits.
上流・下流製品情報
下流製品
サプライヤー100 社
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.
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