alpha-Amylcinnamyl formate

HCID 6435834CAS 7493-79-0

基本情報

標準SMILES: CCCCC/C(=C/c1ccccc1)COC=O
InChIKey: AWNFWGNFOOJDNO-PTNGSMBKSA-N
分子式: C15H20O2
平均分子量: 232.32 g/mol
単同位体質量: 232.14632988

名称と識別子

優先名称: alpha-Amylcinnamyl formate
IUPAC: [(2Z)-2-benzylideneheptyl] formate

名称と別名

ALPHA-AMYLCINNAMYL FORMATE7493-79-0alpha-Pentylcinnamyl formate2-Benzylidene-1-heptyl formate1-Heptanol, 2-(phenylmethylene)-, formate1-Heptanol, 2-benzylidene-, formate2-(Phenylmethylene)-1-heptyl formatealpha-Amyl-beta-phenylacryl isovalerateFEMA No. 2066EINECS 231-341-5C0W8VHB8GRDTXSID501009385

名称をさらに表示

(2Z)-2-(phenylmethylidene)heptyl formateALPHA-AMYLCINNAMYL FORMATE (USP-RS)ALPHA-AMYLCINNAMYL FORMATE [USP-RS]RefChem:555396DTXCID00909529.ALPHA.-AMYLCINNAMYL FORMATE.ALPHA.-AMYLCINNAMYL FORMATE [FHFI][(2Z)-2-benzylideneheptyl] formate

データベース識別子

CAS: 7493-79-0
PubChem CID: 6435834
DTXSID: DTXSID501009385
UNII: 9740KC64G6
EC Number: 231-341-5

物性

構造計算による物性

XLogP: 4.9
極性表面積: 26.3 Å²
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: 8
重原子数: 17
形式電荷: 0
複雑度: 227

実験および物理化学的性質

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.980-0.999

Flavoring AgentsEU Flavoring substances

Solubilitymiscible (in ethanol)

Boiling Point277 °C

Refractive Index1.516-1.526

安全と法規制

危険有害性情報

Regulatory Information · 3 件

Chemical: 1-Heptanol, 2-(phenylmethylene)-, formate

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

1-Heptanol, 2-(phenylmethylene)-, formate: Does not have an individual approval but may be used under an appropriate group standard

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

Use Classification · 4 件

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index