成分词典

HEPTANOIC ACID

Heptanoic acid is a C7, straight-chain fatty acid that contributes to the odour of some rancid oils.

定义

Heptanoic acid is a C7, straight-chain fatty acid that contributes to the odour of some rancid oils. Used in the preparation of esters for the fragrance industry, and as an additive in cigarettes. It has a role as a plant metabolite. It is a straight-chain saturated fatty acid and a medium-chain fatty acid. It is a conjugate acid of a heptanoate.

来源: PubChem

美国FDA 物质登记 · UNII THE3YNP39D · 登记名称 Heptanoic acid · 单一化学物质

来源: 美国FDA 物质识别码（UNII）

化妆品中的作用

为产品增添香味PERFUMING

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

来源: 韩国有毒物质 GHS 信息（环境公团）

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

HEPTANOIC ACIDINCI

CAS No.化学物质登记号: 111-14-8
EC No.欧盟化学品目录编号: 203-838-7
DTXSID美国EPA化学品编号: DTXSID2021600
DTXCID美国EPA化合物编号: DTXCID301600

IUPAC: Heptanoic acid
分子式: C7H14O2
分子量: 130.187 g/mol

实测物性

性状: Heptanoic acid appears as a colorless liquid with a pungent odor. Less dense than water and poorly soluble in water. Hence floats on water. Very corrosive. Contact may likely burn skin, eyes, and mucous membranes. May be toxic by ingestion, inhalation and skin absorption. Flash point near 200 °F. · Liquid, Other Solid
气味: Disagreeable, rancid odor, faint tallow-like odor when spectroscopically pure.
沸点: 432 to 473 °F at 760 mmHg (NTP, 1992) · 222.2 °C
熔点: 16 °F (NTP, 1992) · -7.17 °C
溶解性: 1 to 10 mg/mL at 73 °F (NTP, 1992) · Solubility in water = 0.2419 g/100 mL water at 15 °C, soluble in ethanol, ether, DMF, dimethyl sulfoxide.
密度: 0.92 at 68 °F (USCG, 1999) - Less dense than water, will float · 0.9181 at 20 °C/4 °C
黏度: 3.40 cP at 30 °C, 0.82 cP at 120 °C · 4.8 mm²/s at 20 °C
解离常数: pKa = 4.4 at 25 °C · pKa = 4.893 at 25 °C
分子量: 130.19

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 10 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。

Fragrance3
Flavouring and nutrient2
Lubricating agent1
No specific technical function1
Processing aids not otherwise specified1
pH regulating agent1
Intermediate1

来源: 美国EPA CompTox

刺激与致敏试验记录

记录有皮肤试验 7 项、眼部试验 2 项。

归类为刺激性高1 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 9 项试验

Corrosive
skin irritation: in vivo · Screening · other guideline: 49 CFR 173.240. according to
Classification not possible
Skin Sensitization · Screening
Skin Corr. 1B
Skin Irritation · Authoritative
Corrosive
skin irritation: in vivo · Screening · OECD Guideline 404 (Acute Dermal Irritation / Corrosion) equivalent or similar to
Category 8.2C (Category 1C)
Skin Irritation · Read Across
Not likely to be sensitizing
skin sensitisation: in vivo (non-LLNA) · Screening · according to OECD Guideline 406 (Skin Sensitisation) according to EU Method B.6 (Skin Sensitisation)
Category 1
Skin Irritation · Screening
Category 8.3A (Category 1)
Eye Irritation · Read Across
Category 1
Eye Irritation · Screening