nonan-2-one

• ChemBase编号: 107102
• 分子式: C9H18O
• 平均质量: 142.23862
• 单一同位素质量: 142.1357652
• SMILES: CCCCCCCC(=O)C
• Canonical SMILES: CCCCCCCC(=O)C
• InChI: InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3
• InChIKey: VKCYHJWLYTUGCC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: nonan-2-one
• IUPAC传统名: 2-nonanone
• 别名: 甲基庚基酮; 2-壬酮; n-HEPTYL METHYL KETONE; nonan-2-one; Heptyl methyl ketone; 2-Nonanone; n-Heptyl methyl ketone

登记号

• CAS号: 821-55-6
• EC号: 212-480-0
• MDL号: MFCD00009553
• Beilstein号: 1743645
• PubChem SID: 24883045; 24901327; 24874085; 162092942; 24901328; 24846822
• PubChem CID: 13187
• FEMA编号: 2785
• 欧洲委员会编号: 154; 154c
• Flavis Number: 7.02

理论计算性质

• Acid pKa: 19.643448
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.029659
• LogD (pH = 7.4): 3.029659
• Log P: 3.029659
• 摩尔折射率: 43.8267 cm^3
• 极化性: 17.387396 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: -15°C; -21 °C(lit.); -21?C; -22 - -21°C
• 沸点: 192 °C/743 mmHg(lit.); 192°C; 195°C
• 闪点: 154.4 °F; 64°C(147°F); 68 °C
• 密度: 0.82 g/mL at 25 °C(lit.); 0.826; 0.832 g/ml
• 折射率: 1.4210; n20/D 1.420; n20/D 1.421; n20/D 1.421(lit.)
• 疏水性(logP): 2.966
• 感官: butter; cheese; coconut; oily; citrus; herbaceous; pineapple; vegetable; fishy; soapy; waxy; cheese; coconut; oily; herbaceous; floral; fruity; fatty; soapy; waxy; fishy

安全信息

• RTECS编号: RA8225000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 1
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H227; H315-H319-H335
• GHS警示性声明: P210-P280-P370+P378A-P403+P235-P501A; P261-P305 + P351 + P338
• 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: ≥97%; ≥99%; ≥99.0% (GC); ≥99.5% (GC); 95%; 98+%
• 级别: analytical standard; FG; Halal; Kosher; natural; NI; purum
• 有效期: (limited shelf life, expiry date on the label)
• 线性分子式: CH3(CH2)6COCH3

详细说明

MP Biomedicals - 05202556

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 108731

包装
5, 100 g in glass bottle

Sigma Aldrich - W278505

Other Notes
天然存在：蓝奶酪、黄油、切达奶酪、椰子、鱼、磷虾、芸香油。
包装
1 kg in poly bottle
1 sample in glass bottle
250 g in poly bottle
5, 10 kg in poly drum

Sigma Aldrich - W278513

General description
天然存在：蓝奶酪、黄油、切达奶酪、椰子、鱼、磷虾、芸香油。
包装
1 kg in poly bottle
1 sample in glass bottle
25, 100 g in poly bottle
4 kg in poly drum