Heptyl Formate
Heptanol, formate · FEMA 2552 · Heptylformiat · HEPTYL FORMATE · n-Heptyl formate · heptanol,formate · heptyl methanoate · n-heptylmethanoate
식별자 및 물리적 특성
| CAS No. | 112-23-2 |
|---|---|
| 분자식 | C8H16O2 |
| 평균 분자량 | 144.21 g/mol |
| 단동위원소 질량 | 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 |
화학 및 물리적 성질
| XLogP | 3 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 7 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 71.7 |
| SpringerMaterials Properties | Density |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.88277 (15 °C)0.882 g/mL at 25 °C(lit.) |
| 향미제 | EU Flavoring substances |
| 용해도 | soluble in ether, most organic solventsinsoluble in water1 ml in 5 ml 70% alcohol (in ethanol) |
| 끓는 점 | 177.00 to 178.00 °C. @ 760.00 mm Hg176.7-178 °C178 °C(lit.) |
| 굴절률 | 1.414n20/D 1.413(lit.) |
| Physical Description | colourless liquid with a fruity, floral, orris-rose odour |
| 녹는점 | -46.4°C |
| FEMA | 2552 | HEPTYL FORMATE |
| 인화점 | 140 °F |
| 냄새 | 100.00%에서. 녹색 왁스 꽃의 허브 자두 사과 오이 |
| 향취 유형 | 녹색 |
| JECFA Number | 121 |
| 헨리 상수 | 6.7×10-3 mol/(m3Pa) at 25℃, Yaws (2003) |
| 화장품 원료 기능 | 향수 |
| LogP(분배 계수) | 2.96 |
| EPA | Formic acid, heptyl ester (112-23-2) |
화학적 성질
Heptyl formate has a fruity-foral odor with an orris-rose undertone and a sweet taste reminiscent of plum.
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | Chemical: Formic acid, heptyl esterFormic acid, heptyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Formic acid, heptyl ester: Human health tier I assessment |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | LQ8582000 |
| 운송 번호(UN) | UN 3272 3/PG 3 |
| 위험 문구(R) | 36/38-41 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36/37/39 |
용도
개요
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.
출처
Reported found in kumquat peel oil and beer
용도
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.
제조 및 합성 방법
제조 방법
From n-heptyl bromide and formamide at the boil.