ぎ酸ヘプチル
ぎ酸ヘプチル · ヘプチルフォ-メ-ト · Heptanol, formate · FEMA 2552 · Heptylformiat · HEPTYL FORMATE · n-Heptyl formate · heptanol,formate
識別子と物理属性
| CAS No. | 112-23-2 |
|---|---|
| 分子式 | C8H16O2 |
| 平均分子量 | 144.21 g/mol |
| 単同位体質量 | 144.11502975 g/mol |
| SMILES | CCCCCCCOC=O |
| InChIKey | XEAMDSXSXYAICO-UHFFFAOYSA-N |
| PubChem CID | 8169 |
| ChEMBL | CHEMBL2270392 |
| ChEBI | CHEBI:179932 |
| EC No. | 203-949-0 |
| DTXSID | DTXSID9059416 |
| 現地名 | ぎ酸ヘプチル |
化学・物理的性質
| XLogP | 3 |
|---|---|
| 極性表面積 | 26.3 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 7 |
| 重原子数 | 10 |
| 形式電荷 | 0 |
| 複雑度 | 71.7 |
| SpringerMaterials Properties | Density |
| 食品添加物 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 密度 | 0.88277 (15 °C)0.882 g/mL at 25 °C(lit.) |
| 香味料 | EU Flavoring substances |
| 溶解度 | soluble in ether, most organic solventsinsoluble in water1 ml in 5 ml 70% alcohol (in ethanol) |
| 沸点 | 177.00 to 178.00 °C. @ 760.00 mm Hg176.7-178 °C178 °C(lit.) |
| 屈折率 | 1.414n20/D 1.413(lit.) |
| Physical Description | colourless liquid with a fruity, floral, orris-rose odour |
| 融点 | -46.4°C |
| FEMA | 2552 | HEPTYL FORMATE |
| 引火点 | 140 °F |
| 臭い | 100.00%で。緑のワックス状の花、ハーブ、プラム、リンゴ、キュウリ |
| においのタイプ | 緑 |
| JECFA Number | 121 |
| ヘンリー定数 | 6.7×10-3 mol/(m3Pa) at 25℃, Yaws (2003) |
| 化粧品成分の機能 | 香料 |
| LogP（分配係数） | 2.96 |
| EPAの化学物質情報 | Formic acid, heptyl ester (112-23-2) |
化学的特性
Heptyl formate has a fruity-foral odor with an orris-rose undertone and a sweet taste reminiscent of plum.
安全性と法規制
| GHS 分類 | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 153 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: Formic acid, heptyl esterFormic acid, heptyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | IMAP assessments - Formic acid, heptyl ester: Human health tier I assessment |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| 水環境危害等級（WGK） | 2 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | LQ8582000 |
| 輸送番号（UN） | UN 3272 3/PG 3 |
| 危険文句（R） | 36/38-41 |
| 危険表示 | Xi |
| 安全措置（S） | 26-36/37/39 |
用途
説明
Heptyl formate has a fruity-floral odor with an orris-rose undertone and a sweet taste reminiscent of plum. May be synthesized from n-heptyl bromide and formamide at the boil.
天然物の起源
Reported found in kumquat peel oil and beer
使用
Heptyl Formate is a synthetic flavoring agent that is a moderately stable, colorless to light yellow liquid of fruity odor. it should be stored in glass or tin containers. it is used in fruit flavors such as apricot, pear, and plum with applications in beverages, ice cream, candy, and baked goods at 1–4 ppm.
製法・合成法
製造方法
From n-heptyl bromide and formamide at the boil.