Nonanoic acid is a C9 straight-chain saturated fatty acid which occurs naturally as esters of the oil of pelargonium.
定义
Nonanoic acid is a C9 straight-chain saturated fatty acid which occurs naturally as esters of the oil of pelargonium. Has antifungal properties, and is also used as a herbicide as well as in the preparation of plasticisers and lacquers. It has a role as an antifeedant, a plant metabolite, a Daphnia magna metabolite and an algal metabolite. It is a straight-chain saturated fatty acid and a medium-chain fatty acid. It is a conjugate acid of a nonanoate. It derives from a hydride of a nonane.
来源: PubChem
美国FDA 物质登记 · UNII 97SEH7577T · 登记名称 PELARGONIC 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
Reviewed by CIR: Final report of the Cosmetic Ingredient Review Expert Panel on the safety assessment of Pelargonic Acid (nonanoic acid) and nonanoate esters
来源: 美国CIR 安全性评估
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
- 112-05-0
- EC No.欧盟化学品目录编号
- 203-931-2
- DTXSID美国EPA化学品编号
- DTXSID3021641
- DTXCID美国EPA化合物编号
- DTXCID901641
- IUPAC
- Nonanoic acid
- 分子式
- C9H18O2
- 分子量
- 158.241 g/mol
实测物性
- 性状
- Liquid, Large Crystals · Colorless or yellowish liquid, mp = 12.5 deg C, [Hawley]
- 气味
- FATTY ODOR · COCONUT AROMA
- 沸点
- 254.5 °C · Boiling point = 255.6 °C
- 熔点
- 12.4 °C · 12.3 °C
- 溶解性
- Soluble in ethanol, chloroform, ether · 1:8 IN 50% ALCOHOL, 1:3 IN 60% ALCOHOL, INSOL IN WATER, SOL IN MOST ORG SOLVENTS
- 密度
- 0.9052 g/cu cm at 20 °C · 0.901-0.906
- 黏度
- 8.08 mPa.sec at 20 °C · 7.00 cP (25℃)
- 解离常数
- pKa = 4.95 at 25 °C
- 颜色
- 无色
- 嗅觉阈值
- 3 ppm (3~9)
- 熔点/凝固点
- 12 ℃(ca.)
- 初沸点和沸程
- 249~271 ℃ (1013.25 hPa)
- 闪点
- 133 ℃(ca.)
- 蒸气压
- (ca. 0.22hPa at 50℃)
- 溶解度
- (ca. 0.03 vol% 25℃)
- 蒸气密度
- 5.45
- 比重
- 0.904 (20℃)
- 正辛醇/水分配系数（Kow）
- 2.84 (ca.)
- 自燃温度
- 405 ℃
- 分子量
- 158.27
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 16 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。
- Flavouring and nutrient2
- No specific technical function2
- Fragrance2
- Biocide2
- Soil amendments2
- Emulsifier1
- Cleaning agent1
- Monomers1
其余用途 3 项
- Deodorizer1
- Intermediate1
- Lubricating agent1
来源: 美国EPA CompTox
刺激与致敏试验记录
记录有皮肤试验 9 项、眼部试验 4 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 13 项试验
- Skin Irrit. 2
Skin Irritation · Authoritative - Category 8.2C (Category 1C)
Skin Irritation · Read Across - Skin corrosion/irritation - Category 2
Skin Irritation · Screening - Classification not possible
Skin Sensitization · Screening - Not likely to be sensitizing
skin sensitisation: in vivo (non-LLNA) · Screening · according to OECD Guideline 406 (Skin Sensitisation) - Severe Irritation
skin irritation: in vivo · Screening · EU Method B.4 (Acute Toxicity: Dermal Irritation / Corrosion) according to OECD Guideline 404 (Acute Dermal Irritation / Corrosion) according to - Ambiguous
skin irritation: in vivo · Screening · OECD Guideline 404 (Acute Dermal Irritation / Corrosion) according to - Not likely to be sensitizing
skin sensitisation: in vivo (LLNA) · Screening · according to OECD Guideline 429 (Skin Sensitisation: Local Lymph Node Assay) - Category 2
Skin Irritation · Screening - Category 8.3A (Category 1)
Eye Irritation · Read Across - Eye Irrit. 2
Eye Irritation · Authoritative - Serious eye damage/eye irritation - Category 2
Eye Irritation · Screening - Category 2A
Eye Irritation · Screening
来源: 美国EPA CompTox
相关文献
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- Postharvest Reduction of Salmonella enterica on Tomatoes Using a Pelargonic Acid Emulsion · 2021
- Mechanism of PAVA-induced toxicity and inflammation in a cocultured skin cell model · 2025
- Thermal and Mechanical Characterisation of Poly(ω -Hydroxy Pelargonate): A Preliminary Study for Bioplastic · 2021
- Comparison of the Effects of Pelargonic Acid Vanillylamide and Capsaicin on Human Vanilloid Receptors · 2013