dodecanoic acid

• ChemBase编号: 102242
• 分子式: C12H24O2
• 平均质量: 200.31776
• 单一同位素质量: 200.17763001
• SMILES: CCCCCCCCCCCC(=O)O
• Canonical SMILES: CCCCCCCCCCCC(=O)O
• InChI: InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
• InChIKey: POULHZVOKOAJMA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dodecanoic acid
• IUPAC传统名: lauric acid
• 别名: 十二烷酸; 月桂酸; 正十二烷酸; 月桂酸; 十二烷酸; ABL; Lauric acid; Lauric acid; Dodecanoic acid; LAURIC ACID; n-DODECANOIC ACID; Dodecanoic acid; n-Dodecanoic acid; Dodecylic acid; Dodecoic acid; Laurostearic acid; Vulvic acid; 1-Undecanecarboxylic acid; Duodecylic acidC12:0 (Lipid numbers)

登记号

• CAS号: 143-07-7
• EC号: 205-582-1
• MDL号: MFCD00002736
• Beilstein号: 1099477
• 默克索引号: 145384
• PubChem SID: 24901205; 24896407; 24874804; 24901204; 24896365; 162088388
• PubChem CID: 3893
• CHEMBL: 108766
• Chemspider ID: 3756
• FEMA编号: 2614
• 维基百科标题: Lauric_acid
• 欧洲委员会编号: 12; 12c
• Flavis Number: 8.012

理论计算性质

• Acid pKa: 4.9520197
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.8225026
• LogD (pH = 7.4): 2.0633676
• Log P: 4.478308
• 摩尔折射率: 58.6796 cm^3
• 极化性: 23.339931 Å^3
• 极化表面积: 37.3 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: 0.006 g/100 mL (20 °C) in water
• 外观: Crystalline; white powder
• 熔点: 43.2 °C; 43-45°C; 43-46 °C; 44 °C (112 °F); 44°C; 44-46 °C(lit.)
• 沸点: 180°C/21mm; 225 °C/100 mmHg(lit.); 298.9 °C; 299 °C (570 °F); 299°C
• 闪点: >113 °C; >235.4 °F; ≥ 110 °C; 165°C(329°F)
• 密度: 0.880 g/cm^3; 0.883; 0.883 (water = 1); 0.883 g/ml; 0.883 g/mL at 25 °C(lit.)
• 折射率: 1.423
• 蒸汽压: 1 mmHg ( 121 °C); 50 mmHg ( 210 °C); Very low at 25 °C, 1 mm Hg (0.133 kPa) at 121 °C
• 粘度: 7.30 mPa·s at 323 K
• 气味: slight odor of bay oil
• 感官: fatty

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: OE9800000
• 欧盟危险性物质标志: 有毒(Toxic) (T); 刺激性(Irritant) (Xi)
• 德国WGK号: 1
• 危险公开号: 36; R:40-36/37/38
• 安全公开号: 26; S:28-29-36/37/39-45-53
• TSCA收录: 是
• GHS危险品标识: GHS07
• NFPA704:
  

  1

  1

  1
• GHS危险声明: H319; H412
• GHS警示性声明: P273; P280-P264-P305+P351+P338-P337+P313
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR (172.210); FDA 21 CFR (172.860); FDA 21 CFR (173.340)

药理学性质

• 过敏源: no known allergens

产品相关信息

• 纯度: ≥95%; ≥99%; ≥96.0% (GC); ≥98%; ≥99% (GC/titration); ≥99.0% (GC); ≥99.5% (GC); 98%; 99.5%; typically 99.5%
• 级别: analytical standard; FG; Halal; Kosher; natural; NI; puriss.; purum
• 有效期: (limited shelf life, expiry date on the label)
• 线性分子式: CH3(CH2)10COOH

详细说明

MP Biomedicals - 05225139

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02102142

Purity: 95+%

MP Biomedicals - 02100784

Purity: 99+%
Crystalline

Sigma Aldrich - L4250

Biochem/physiol Actions
CYP 4A11 的底物

Sigma Aldrich - L556

包装
1 kg in poly bottle
25 g in poly bottle
3 kg in poly drum

Sigma Aldrich - W261408

包装
1 kg in poly bottle
5 kg in poly drum
1 sample in glass bottle
10, 25 kg in fiber drum

Sigma Aldrich - W261416

包装
1 kg in poly bottle
1 sample in glass bottle
5, 10 kg in poly drum

Sigma Aldrich - 61610

Biochem/physiol Actions
CYP 4A11 的底物

Sigma Aldrich - 61620

Biochem/physiol Actions
CYP 4A11 的底物

Sigma Aldrich - 61609

Biochem/physiol Actions
CYP 4A11 的底物