トリデカン二酸

Tridecanedioic acid

HCID 10458CAS 505-52-2
部分構造検索類似構造を探す

基本情報

標準SMILES
O=C(O)CCCCCCCCCCCC(=O)O
InChIKey
DXNCZXXFRKPEPY-UHFFFAOYSA-N
分子式
C13H24O4
平均分子量
244.33 g/mol
単同位体質量
244.16745925

概要

Tridecanedioic acid is an alpha,-dicarboxylic acid that is undecane substituted by carboxylic acid groups at positions C-1 and C-11. It has a role as a metabolite.

名称と識別子

優先名称
Tridecanedioic acid
IUPAC
tridecanedioic acid
現地名
トリデカン二酸
英語名
1,11-Undecanedicarboxylic acid
分子式
C13H24O4
分子量
244.33

名称と別名

TRIDECANEDIOIC ACID505-52-21,11-Undecanedicarboxylic acidBrassylic acid1,13-Tridecanedioic acidDTXSID9021683PL3IQ40C34CHEBI:73718NSC-9498DTXCID901683RefChem:191445208-011-4
名称をさらに表示
トリデカン二酸ブラッシル酸ブラシル酸1,11-ウンデカンジカルボン酸トリデカンニ酸UNDECANE-1TRIDECANDIOIC ACID1,13-Brassylic acidTridecanedionicacid11-DECARBOXYLIC ACID1,11-Undecanedicarbo
Brassilic acidtridecanedioateBrassilateUndecane-1,11-dicarboxylic acidMFCD00002740SCHEMBL20802NSC9498Tox21_302982

データベース識別子

CAS
505-52-2
PubChem CID
10458
DTXSID
DTXSID9021683
ChEMBL
CHEMBL3187746
ChEBI
CHEBI:73718
UNII
PL3IQ40C34
EC Number
208-011-4
Nikkaji
J102.933I

物性

構造計算による物性

XLogP
3.7
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
12
重原子数
17

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
Solubility1.5 mg/mL at 21 °C
Melting Point111 °C
Physical Description · 2 件

Other Solid

Solid

物理化学的性質

融点
112 · 112-114 °C(lit.)
沸点
415.5 °C · 415.5°C (rough estimate)
比重(密度)
1.15 g/cm3 · 1.15 g/cm3 (25℃)
蒸気圧
0 Pa · 0Pa at 20℃
屈折率
1.4453 · 1.4453 (estimate)
貯蔵温度
Sealed in dry,Room Temperature

化学的性質

化学的特性white powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (25.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 168 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Tridecanedioic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Tridecanedioic 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)

Status: Active Update: 07-01-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/5931

Tridecanedioic 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 CategoriesSkin Irrit. 2 (25.6%)

安全データ

wgk
3
tsca
TSCA listed
hs_code
29171990
risk_code
36/37/38
化審法
(2)-878
hazard_code
Xi

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

U.S. Production2023: 50,000 - <250,000 lb
Industry UsesBinder
General Manufacturing Information · 2 件

Adhesive Manufacturing

Tridecanedioic acid: ACTIVE

応用分野 · 1 件

使用1,11-Undecanedicarboxylic Acid is used in the synthesis of two Bis(tetrahydroisoquinoline) which were highly cytotoxic for cancer-cell cultures and less toxic to healthy cells and exhibited noticeable antimicrobial activity against Gram-positive and Gram-negative bacteria and fungal strain Candida albicans.

上流・下流製品情報

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]

補足説明

定義ChEBI: An alpha,omega-dicarboxylic acid that is undecane substituted by carboxylic acid groups at positions C-1 and C-11.

関連反応

3 件
反応記録を作成

関連ノート

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