Gamma-Decalactone

HCID 12813CAS 2825-92-5

基本情報

標準SMILES: CCCCCCC1CCC(=O)O1
InChIKey: IFYYFLINQYPWGJ-UHFFFAOYSA-N
分子式: C10H18O2
平均分子量: 170.25 g/mol
単同位体質量: 170.13067982

概要

Gamma-decalactone is a gamma-lactone that is oxolan-2-one substituted by a hexyl group at position 5. It has a role as a flavouring agent, an anticonvulsant and a food additive. It is a gamma-lactone and a tetrahydrofuranone.

名称と識別子

優先名称: Gamma-Decalactone
IUPAC: 5-hexyloxolan-2-one
英語名: 5-Hexyldihydro-2(3H)-furanone
分子式: C10H18O2
分子量: 170.24872

名称と別名

gamma-Decalactone706-14-9gamma-Decanolactone5-hexyloxolan-2-oneDecan-4-olide2(3H)-Furanone, 5-hexyldihydro-2-Decalactone5-Hexyldihydro-2(3H)-furanone4-Hexyl-4-butanolidegamma-N-Decalactone5-Hexyltetrahydro-2-furanonegamma-Hexyl-gamma-butyrolactone

名称をさらに表示

4-Hexyl-gamma-butyrolactoneFEMA No. 2360DTXSID4022109gamma-N-Hexyl-gamma-butyrolactone4-Hexyl-4-hydroxybutanoic acid lactone7HLS05KP9ONSC-24248NSC-26510

データベース識別子

CAS: 2825-92-5、706-14-9
PubChem CID: 12813
DTXSID: DTXSID4022109
ChEMBL: CHEMBL365740
ChEBI: CHEBI:145740
UNII: 7HLS05KP9O
EC Number: 211-892-8、684-209-8
Nikkaji: J14.171B

物性

構造計算による物性

XLogP: 2.7
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: 5
重原子数: 12
形式電荷: 0
複雑度: 143

実験および物理化学的性質

Chemical ClassesOther Classes -> Lactones

FragrancesFragrance Ingredient (gamma-Decalactone) -> IFRA transparency List

LogP · 2 件

2.720

2.72

Food Additives · 2 件

FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Food

Density0.950-0.955

Flavoring AgentsEU Flavoring substances

物理化学的性質

沸点: 125 · 125-127 °C(Press: 3.5 Torr)
比重(密度): 0.9482 g/cm3 · 0.9482 g/cm3

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 92.2% (1780 of 1930) of all reports.

Not Classified

Aggregated GHS information provided per 1930 reports by companies from 12 notifications to the ECHA C&L Inventory.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 5 件

Chemical: 2(3H)-Furanone, 5-hexyldihydro-

Regulation (EC) No 1831/2003 (amended)

2(3H)-Furanone, 5-hexyldihydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2(3H)-Furanone, 5-hexyldihydro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 11-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5281

2(3H)-Furanone, 5-hexyldihydro-: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

A moderate skin irritant; Causes anticonvulsant effects, altered sleep time, and decreased body temperature in acute oral studies of mice; [RTECS] Safe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; [Alfa Aesar MSDS] See Butyrolactone.

Hazard Classes and Categories · 2 件

Not Classified

Skin Irrit. 2 (100%)

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

UsesPermitted for use as an inert ingredient in non-food pesticide products; [EPA] Used as flavoring agent or adjuvant; [FDA]

U.S. Production2023: 8,500,000 - <10,000,000 lb

Consumer UsesFragrance

Industry UsesOther

Household ProductsInformation on 160 consumer products that contain Gamma-Decalactone in the following categories is provided:

Use Classification · 4 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

サプライヤー5 社

广州伟伯科技有限公司[email protected]

圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]

爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]

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