3-ヘプタノール

化学名:3-ヘプタノール

CAS番号.589-82-2

英語名:3-HEPTANOL

CBNumberCB1200328

MFC7H16O

MW116.2

别名

3-ヘプタノール

ブチルエチルカルビノール

ヘプタン-3-オール

3-ヘプタノール物理性質

融点	-70°C
沸点	66 °C/20 mmHg (lit.)
比重(密度)	0.821 g/mL at 20 °C 0.818 g/mL at 25 °C (lit.)
FEMA	3547 \| 3-HEPTANOL
屈折率	n20/D 1.421(lit.)
闪点	130 °F
貯蔵温度	2-8°C
溶解性	Chloroform, Methanol (Sparingly)
酸解離定数(Pka)	15.31±0.20(Predicted)
色	Colorless to Almost colorless
臭い (Odor)	ジプロピレングリコール中1.00%。強力なハーブ
においのタイプ	ハーブ
水溶解度	3.984g/L(25℃)
JECFA Number	286
BRN	1719067
Dielectric constant	6.8600000000000003
LogP	2.29
CAS データベース	589-82-2(CAS DataBase Reference)
EPAの化学物質情報	3-Heptanol (589-82-2)

安全性情報

主な危険性	Xn
Rフレーズ	22
Sフレーズ	23-24/25
RIDADR	UN 1987 3/PG 3
WGK Germany	3
RTECS 番号	MJ3150000
HSコード	2905.19.9090
国連危険物分類	3
容器等級	III
毒性	The acute oral LD₅₀ was reported as 4.3 g/kg and 6 g/kg in mice and as 3.25 g/kg in rats . The acute dermal LD₅₀ in rabbits was reported as > 5 g/kg . The acute inhalation LC 50 in mice was reported as 6.6 mg/litre
消防法	危-4-2-III
化審法	(2)-217

危険有害性情報のコード(GHS)

外観
無色～わずかにうすい黄色, 澄明の液体
溶解性
エタノールに極めて溶けやすく、水にほとんど溶けない。
説明
3-Heptanol has a powerful, herbaceous odor and a pungent, slightly bitter taste. May be prepared through catalytic hydrogenation of ethyl-n-butyl ketone.
化学的特性
3-Heptanol has a powerful, herbaceous odor and a pungent, slightly bitter taste.
天然物の起源
Reported found in banana, papaya, French fried potato, peppermint oil, butter, fried or grilled beef, cognac, coffee, peated malt and rooibus tea (Aspalathius linearis)
使用
3-Heptanol can be used:
- As a solvent to form microenvironments around single-walled carbon nanotubes.
- To prepare substituted pyrimidine derivatives as C1 domain-targeted isophthalate analogs to study their binding affinities towards PKCα?isoform.
- As a building block to synthesize 4-(3-adamantan-1-yl-ureido)-butyric acid and cyclohexanecarboxylic acid derivatives as sEH inhibitors.
製造方法
By catalytic hydrogenation of ethyl-n-butyl ketone.
一般的な説明
3-Heptanol is the main biotransformation product of n-heptane.
危険性
Toxic by ingestion. Moderate fire risk.
代謝
In the rabbit, heptan-l-ol is metabolized partly by direct conjugation with glucuronic acid to form an ether glucuronide and mainly by oxidation to the carboxylic acid, which either undergoes further oxidation to CO₂ or forms an ester glucuronide