Heptanal is an n-alkanal resulting from the oxidation of the alcoholic hydroxy group of heptan-1-ol to the corresponding aldehyde.
定义
Heptanal is an n-alkanal resulting from the oxidation of the alcoholic hydroxy group of heptan-1-ol to the corresponding aldehyde. An endogenous aldehyde coming from membrane lipid oxidation, it is found in the blood of lung cancer patients and has been regarded as a potential biomarker of lung cancer. It has a role as a biomarker. It is a n-alkanal, a saturated fatty aldehyde and a medium-chain fatty aldehyde.
来源: PubChem
美国FDA 物质登记 · UNII 92N104S3HF · 登记名称 Heptanal · 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
- 111-71-7
- EC No.欧盟化学品目录编号
- 203-898-4
- DTXSID美国EPA化学品编号
- DTXSID0021597
- DTXCID美国EPA化合物编号
- DTXCID601597
- IUPAC
- Heptanal
- 分子式
- C7H14O
- 分子量
- 114.188 g/mol
实测物性
- 性状
- N-heptaldehyde appears as a colorless, oily liquid with a penetrating fruity odor. Insoluble in water and less dense than water. Hence floats on water. Used to make perfumes and pharmaceuticals. · Liquid
- 气味
- FATTY, PUNGENT ODOR · Penetrating fruity odor
- 沸点
- 307 °F at 760 mmHg (NTP, 1992) · 152.8 °C
- 熔点
- -45 °F (NTP, 1992) · -43.3 °C
- 溶解性
- less than 1 mg/mL at 70 °F (NTP, 1992) · Miscible with alcohol, ether. Soluble in 3 volumes of 60% alcohol.
- 密度
- 0.8495 at 68 °F (NTP, 1992) - Less dense than water, will float · 0.82162 g/cu cm at 25 °C
- 黏度
- 0.977 cP at 15 °C, 0.791 cP at 30 °C · 0.98 cP (15 C)
- 颜色
- 无色
- 熔点/凝固点
- -43 ℃
- 初沸点和沸程
- 153 ℃
- 闪点
- 35 ℃((c.c.))
- 燃烧或爆炸范围上限/下限
- 7.1 / 1.1 %
- 蒸气压
- 3.52 ㎜Hg ((25 ℃))
- 蒸气密度
- (&, gt, 1)
- 比重
- 0.8495
- 正辛醇/水分配系数（Kow）
- 2.29
- 自燃温度
- 250 ℃
- 分子量
- 114.19
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 15 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。
- Fragrance11
- Flavouring and nutrient2
- Intermediate2
来源: 美国EPA CompTox
刺激与致敏试验记录
记录有皮肤试验 4 项、眼部试验 3 项。
各项试验结论不一（最多的结论占 33%），因此不能断定该成分有刺激性。 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
- Not likely to be sensitizing
skin sensitisation: in vivo (non-LLNA) · Screening · according to OECD Guideline 406 (Skin Sensitisation) - Classification not possible
Skin Sensitization · Screening - Severe Irritation
skin irritation: in vivo · Screening · OECD Guideline 404 (Acute Dermal Irritation / Corrosion) equivalent or similar to - Category 2
Skin Irritation · Screening - Moderate or Mild Irritation
eye irritation: in vivo · Screening · other guideline: 40 CFR Part 163.81-' (Environmental protection agency pesticide programs. Proposed guidelines for registering pesticides in U.S.; hazard evaluation: humans and domestic animal. Primary eye irritation study) according to OECD Guideline 405 (Acute Eye Irritation / Corrosion) equivalent or similar to - Category 2B
Eye Irritation · Screening - Category 6.4A (Category 2A)
Eye Irritation · Read Across
来源: 美国EPA CompTox
相关文献
- Vacuum skin packaging versus traditional methods: A decisive advantage in controlling oxidation and volatile flavor profiles of wet-aged beef. · 2026
- Characterization of aroma profiles of chinese four most famous traditional red-cooked chickens using GC-MS, GC-IMS, and E-nose. · 2023
- Peripheral Arterial Stiffness Response to Heptanal Odor and its Relation to Subjective Evaluation · 2022
- Greener Synthesis of Jasminaldehyde via Cross Aldol Condensation Reaction Using Recyclable Phase Transfer Catalysis and its Cosmetic Application · 2022
- Ozone reactive compounds measured in skin wipes from Chinese volunteers · 2021