テトラデカン二酸

Tetradecanedioic acid

HCID 13185
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基本情報

CAS
821-38-5
標準SMILES
O=C(O)CCCCCCCCCCCCC(=O)O
InChIKey
HQHCYKULIHKCEB-UHFFFAOYSA-N
分子式
C14H26O4
平均分子量
258.35 g/mol
単同位体質量
258.18310931

概要

Tetradecanedioic acid is an alpha,-dicarboxylic acid that is tetradecane in which the methyl groups have been oxidised to the corresponding carboxylic acids. It has a role as a human metabolite. It is a dicarboxylic fatty acid and an alpha,omega-dicarboxylic acid. It is a conjugate acid of a tetradecanedioate(2-). It derives from a hydride of a tetradecane.

名称と識別子

優先名称
Tetradecanedioic acid
IUPAC
tetradecanedioic acid
現地名
テトラデカン二酸
英語名
Tetradecanedioic acid
分子式
C14H26O4
分子量
258.35

名称と別名

TETRADECANEDIOIC ACID821-38-51,12-Dodecanedicarboxylic acidTetradecane-1,14-dioic acid1,14-Tetradecanedioic acidDodecamethylenedicarboxylic acidNSC 9504UEC3AC47H1NSC-9504DTXSID5061166CHEBI:76308RefChem:188494
名称をさらに表示
テトラデカン二酸1,12-ドデカンジカルボン酸tetradecanedioateDCA 14tetradecane diacidetradecanedioicaciRARECHEM AL BO 1123tetradecandioic acidDICARBOXYLIC ACID C14TETRADECANEDIOIC ACID,AR
DTXCID5048265212-476-9tetradecanedioicacidTetradecanedicarboxylateTetradecanedicarboxylic acid1,12-DodecanedicarboxylateMFCD000027431,12-Dodecaned

データベース識別子

CAS
821-38-5
PubChem CID
13185
DTXSID
DTXSID5061166
ChEBI
CHEBI:76308
UNII
UEC3AC47H1
EC Number
212-476-9
Nikkaji
J43.333K

物性

構造計算による物性

XLogP
4.3
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
13
重原子数
18

実験および物理化学的性質

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Dicarboxylic acids [FA0117]
Solubility0.2 mg/mL
Physical DescriptionSolid

物理化学的性質

融点
124 · 124-127 °C (lit.)
沸点
427.81 °C · 427.81°C (rough estimate)
比重(密度)
1.0768 · 1.0768 (rough estimate)
蒸気圧
1.3 hPa · 1.3hPa at 20℃
屈折率
1.465 · 1.4650 (estimate)
貯蔵温度
Sealed in dry,Room Temperature

化学的性質

化学的特性white fine powder

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 2.1% (1 of 48) of reports.

Danger

H315 (87.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 48 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 · 2 件

REACH registered substance: Tetradecanedioic acid (EC: 212-476-9)

Tetradecanedioic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (87.5%)

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

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

General Manufacturing InformationTetradecanedioic acid: ACTIVE

応用分野

使用Tetradecanedioic acid is used as an organic chemical synthesis intermediate.

上流・下流製品情報

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

補足説明

定義ChEBI: An alpha,omega-dicarboxylic acid that is tetradecane in which the methyl groups have been oxidised to the corresponding carboxylic acids.

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