基本情報
- CAS
3301-94-8- 標準SMILES
CCCCC1CCCC(=O)O1- InChIKey
PXRBWNLUQYZAAX-UHFFFAOYSA-N- 分子式
- C9H16O2
- 平均分子量
- 156.22 g/mol
- 単同位体質量
- 156.11502975
概要
6-Butyltetrahydro-2H-pyran-2-one is a delta-lactone.
名称と識別子
- 優先名称
- Delta-Nonalactone
- IUPAC
- 6-butyloxan-2-one
- 現地名
- δ-ノナノラクトン
- 英語名
- delta-Nonalactone
- 分子式
- C9H16O2
- 分子量
- 156.22
名称と別名
DELTA-NONALACTONE3301-94-86-Butyltetrahydro-2H-pyran-2-one2H-Pyran-2-one, 6-butyltetrahydro-5-Nonanolidedelta-Nonanolactone5-Nonalactone5-Hydroxynonanoic acid, lactoneHydroxynonanoic acid delta-lactone.delta.-Nonalactone5-Butyl-delta-valerolactone5-Hydroxynonanoic acid delta-lactone
名称をさらに表示
δ-ノナノラクトン5-ヒドロキシノナン酸6-ブチルテトラヒドロ-2H-ピラン-2-オン5-ヒドロキシノナン酸ラクトン5-ヒドロキシノナン酸δ-ラクトン6-ブチル-3,4,5,6-テトラヒドロ-2H-ピラン-2-オンδ-ノナラクトン5-ノナノリドテトラヒドロ-6-ブチル-2H-ピラン-2-オンδ-ペラルゴラクトン5-ヒドロキシペラルゴン酸δ-ペラルゴノラクトンFEMA 3356δ-NonalactoneHYDROXYNONANOIC ACID, DELTA-LACTONED-NONALACTONEnonan-5-olidei-nonalactoneBUTYLNONOLIDEd-Nonanolactone
delta-Butyl-delta-valerolactoneFEMA No. 3356UNII-DMB99B4WCFDMB99B4WCFdelta-Hydroxypelargonic acid lactone5-Butyl-5-hydroxypentanoic acid lactoneNonanoic acid, 5-hydroxy-, delta-lactoneEINECS 221-974-5
データベース識別子
- CAS
3301-94-8- PubChem CID
- 18698
- DTXSID
DTXSID70863149- ChEBI
CHEBI:171747- UNII
- DMB99B4WCF
- EC Number
- 221-974-5
- Nikkaji
- J208.789H
物性
構造計算による物性
- XLogP
- 2.4
- 極性表面積
- 26.3 Ų
- 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
- 3
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 132
実験および物理化学的性質
FragrancesFragrance Ingredient (Hydroxynonanoic acid, delta-lactone) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.994-0.999
Flavoring AgentsEU Flavoring substances
Solubility1 ml in 1 ml 95% alcohol (in ethanol)
Boiling Point250 °C
Refractive Index1.452-1.458
Physical Descriptioncolourless to pale yellow liquid with a coconut-like odour
物理化学的性質
- 融点
- -26 °C · -26°C
- 沸点
- 115 · 115-116 °C2 mm Hg(lit.)
- 比重(密度)
- 0.893 g/mL · 0.893 g/mL at 25 °C(lit.)
- 蒸気圧
- 0.41 · 0.41-0.75Pa at 20-25℃
- FEMA
- 3356 · 3356 | HYDROXYNONANOIC ACID, DELTA-LACTONE
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (355 of 355) of all reports.
Not Classified
Aggregated GHS information provided per 355 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 2H-Pyran-2-one, 6-butyltetrahydro-
Regulation (EC) No 1831/2003 (amended)
REACH registered substance: 6-butyltetrahydro-2H-pyran-2-one (EC: 221-974-5)
2H-Pyran-2-one, 6-butyltetrahydro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
安全データ
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29322090
- risk_code
- 10
- 化審法
- (5)-698
- 消防法
- 危-4-3-III
- safety_code
- 16-24/25
- ストレージクラス
- 10 - Combustible liquids
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2H-Pyran-2-one, 6-butyltetrahydro-: ACTIVE
応用分野
用途有機合成原料。
説明Hydroxynonanoic acid, δ-lactone has a mild, nut-like odor and a fatty, milk-creamy taste. May be prepared by microbiological reduction of the corresponding keto acids, by a patented process.
天然物の起源Reported as responsible for the off-flavor in milk fat. Also found in melon, butter, chicken fat, grilled beef, cured pork, pork fat and liver, beer, malt and bourbon whiskey, cognac, rum, white wine, black tea, asparagus, mango, starfruit, mountain papaya and cooked shrimps
使用Suggested uses are in curry, nut, tomato, tropical, caramel and dairy flavors. In fragrance applications, this compound delivers apricot, butter, grape, passion fruit, plum, tea green and tobacco notes.
調製方法
製造方法By microbiological reduction of the corresponding keto acids; by a patented process
上流・下流製品情報
上流原料
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