dodecanal

• ChemBase编号: 90512
• 分子式: C12H24O
• 平均质量: 184.31836
• 单一同位素质量: 184.18271539
• SMILES: O=CCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCC=O
• InChI: InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3
• InChIKey: HFJRKMMYBMWEAD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dodecanal
• IUPAC传统名: dodecanal
• 别名: 月桂醛; 1-十二醛; 十二烷醛; 十二醛; 月桂醛; 樟醛; 十二醛; Lauraldehyde; dodecanal; Dodecyl aldehyde; Dodecyl aldehyde; Lauric aldehyde; Aldehyde C12; Lauric aldehyde; Laurinaldehyde; Dodecyl aldehyde; DODECANAL; Dodecanal

登记号

• CAS号: 112-54-9
• EC号: 203-983-6
• MDL号: MFCD00007017
• Beilstein号: 1703917
• PubChem SID: 24901206; 24893661; 24901207; 162077309
• PubChem CID: 8194
• Chemspider ID: 7902
• FEMA编号: 2615
• 维基百科标题: Dodecanal
• 欧洲委员会编号: 99; 99c
• Flavis Number: 5.011

理论计算性质

• Acid pKa: 17.785515
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.3196917
• LogD (pH = 7.4): 4.3196917
• Log P: 4.3196917
• 摩尔折射率: 57.7542 cm^3
• 极化性: 22.924746 Å^3
• 极化表面积: 17.07 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

• 熔点: 12°C; 12°C
• 沸点: 184-186°C/100mm; 185 °C/100 mmHg(lit.); 185°C/100mm; 261°C
• 闪点: 101 °C; 101°C; 101°C(214°F); 213.8 °F
• 密度: 0.831 g cm^-3; 0.831 g/mL at 25 °C(lit.); 0.835
• 折射率: 1.435; n20/D 1.435(lit.)
• 感官: floral; sweet; herbaceous; waxy; floral; waxy; herbaceous; sweet

安全信息

• 保存注意事项: Irritant
• RTECS编号: JR1910000; JR9100000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38; 38-51/53
• 安全公开号: 26-37; 61
• TSCA收录: 是
• GHS危险品标识: GHS07; GHS09
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335; H315-H411
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P273
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR (172.515)

药理学性质

• 过敏源: no known allergens

产品相关信息

• 纯度: ≥95%; 92%; 95%, stab. with 250ppm BHT
• 级别: FG; Halal; Kosher; natural; NI
• 线性分子式: CH3(CH2)10CHO

详细说明

MP Biomedicals - 05213337

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D222003

包装
2, 100 g in glass bottle

Sigma Aldrich - W261513

包装
1 kg in glass bottle
1 sample in glass bottle
100 g in glass bottle
4 kg in comp drum

Sigma Aldrich - W261505

包装
1 kg in aluminum bottle
1 sample in glass bottle
4, 8, 20 kg in comp drum