Isobutyric acid is a branched fatty acid comprising propanoic acid carrying a methyl branch at C-2.
定义
Isobutyric acid is a branched fatty acid comprising propanoic acid carrying a methyl branch at C-2. It has a role as a volatile oil component, a plant metabolite and a Daphnia magna metabolite. It is a fatty acid 4:0, a branched-chain saturated fatty acid and a methyl-branched fatty acid. It is a conjugate acid of an isobutyrate.
来源: PubChem
美国FDA 物质登记 · UNII 8LL210O1U0 · 登记名称 Isobutyric acid · 单一化学物质
化妆品中的作用
安全与法规参考
未列入韩国有毒物质 GHS 分类 · 现有化学物质
详细资料——标示名称、识别编号、物性、试验记录、文献
别名和识别信息
- CAS No.化学物质登记号
- 79-31-2
- EC No.欧盟化学品目录编号
- 201-195-7
- DTXSID美国EPA化学品编号
- DTXSID4021636
- DTXCID美国EPA化合物编号
- DTXCID601636
- IUPAC
- 2-Methylpropanoic acid
- 分子式
- C4H8O2
- 分子量
- 88.106 g/mol
实测物性
- 性状
- Isobutyric acid appears as a colorless liquid with a light odor of rancid butter. Corrosive to metals and tissue. · Liquid
- 气味
- Pungent odor like that of butyric acid, but not as unpleasant · SHARP, BUTTER-FAT-LIKE ODOR
- 沸点
- 309 °F at 760 mmHg (USCG, 1999) · 154.4 °C
- 熔点
- -51 °F (USCG, 1999) · -46 °C
- 溶解性
- 167000 mg/L (at 20 °C) · Slightly soluble in carbon tetrachloride
- 密度
- 0.949 at 68 °F (USCG, 1999) - Less dense than water, will float · 0.950 at 20 °C/4 °C
- 稳定性
- Stable during transport.
- 黏度
- 1.126 mPa.s · (1.126 mPa.s)
- 解离常数
- 4.84 (at 20 °C) · pKa = 4.84
- 颜色
- 无色
- 嗅觉阈值
- 8.1 ppm
- pH
- 2.9
- 熔点/凝固点
- -47 ℃
- 初沸点和沸程
- 152~155 ℃
- 闪点
- 56 ℃
- 燃烧或爆炸范围上限/下限
- 9 / 2
- 蒸气压
- 0.13 ㎪ (at 14.7℃)
- 溶解度
- 167000 ㎎/ℓ
- 蒸气密度
- 3
- 比重
- 0.95 (at 20℃)
- 正辛醇/水分配系数（Kow）
- 0.94
- 自燃温度
- 481 ℃
- 分子量
- 88.11
这是对物质本身测得的数值。韩国安全保健公团（KOSHA）的资料仅供编写和审核安全数据表参考，并非原料商品的规格。
来源: PubChem · 韩国安全保健公团 安全数据表
产品实际使用的用途
这是向美国 EPA 申报含该成分的 9 款产品的用途。其中包括化妆品以外的产品，排在前几行的即为该成分的主要用途。
- Fragrance2
- Intermediate2
- Flavouring and nutrient2
- No specific technical function1
- Solvent1
- pH regulating agent1
来源: 美国EPA CompTox
刺激与致敏试验记录
记录有皮肤试验 5 项、眼部试验 2 项。
试验结论基本一致（100%）。 这是对原料本身的试验记录，与成品中所含浓度下的刺激性不同。
查看全部 7 项试验
- Skin corrosion/irritation - Category 1
Skin Irritation · Screening - Corrosive
skin irritation: in vivo · Screening · OECD Guideline 404 (Acute Dermal Irritation / Corrosion) 1981 according to - Category 8.2C (Category 1C)
Skin Irritation · Read Across - Classification not possible
Skin Sensitization · Screening - Category 1
Skin Irritation · Screening - Category 1
Eye Irritation · Screening - Category 8.3A (Category 1)
Eye Irritation · Read Across
来源: 美国EPA CompTox
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- Interleukin-1β-induced changes in the kinetic constants of L-proline uptake in human skin fibroblasts · 1991