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Merck

W220108

Sigma-Aldrich

己酸丁酯

≥98%, FG

别名:

Butyl caproate, NSC 4022, 己酸丁酯

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About This Item

线性分子式:
CH3(CH2)4CO2(CH2)3CH3
CAS号:
分子量:
172.26
FEMA號碼:
2201
EC號碼:
歐洲委員會號碼:
313
MDL號碼:
分類程式碼代碼:
12164502
PubChem物質ID:
Flavis號碼:
9.063
NACRES:
NA.21
感官的:
berry; fruity
等級:
FG
Halal
Kosher
生物源:
synthetic
agency:
meets purity specifications of JECFA
食物過敏原:
no known allergens

生物源

synthetic

品質等級

等級

FG
Halal
Kosher

agency

meets purity specifications of JECFA

法律遵循

EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 117
FDA 21 CFR 172.515

化驗

≥98%

折射率

n20/D 1.416 (lit.)

bp

61-62 °C/3 mmHg (lit.)

密度

0.866 g/mL at 25 °C (lit.)

應用

flavors and fragrances

文件

see Safety & Documentation for available documents

食物過敏原

no known allergens

感官的

berry; fruity

SMILES 字串

CCCCCC(=O)OCCCC

InChI

1S/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3

InChI 密鑰

RPRPDTXKGSIXMD-UHFFFAOYSA-N

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一般說明

Butyl hexanoate is an aliphatic ester that can be used as a flavoring agent. It is one of the main volatile compounds found in apples. Along with red sticky sphere traps, butyl hexanoate can also act as an odor lure for apple maggot flies.

儲存類別代碼

10 - Combustible liquids

水污染物質分類(WGK)

WGK 2

閃點(°F)

177.8 °F - closed cup

閃點(°C)

81 °C - closed cup


历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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M Guadalupe Sánchez-Otero et al.
Environmental technology, 31(10), 1101-1106 (2010-08-20)
The recombinant lipase LipMatCCR11 from the thermophilic strain Geobacillus thermoleovorans CCR11 was applied in the synthesis of n-butyl caproate via transesterification in hexane and xylene. The short chain flavour ester was obtained by alcoholysis from ethyl caproate and n-butyl alcohol
K Takahashi et al.
Biochemical and biophysical research communications, 131(2), 532-536 (1985-09-16)
Lipoprotein lipase was modified with 2,4-bis(O-methoxypolyethylene glycol)-6-chloro-s-triazine; forty-six percent out of seven amino groups in the molecule were substituted. The modified lipase catalyzed ester-exchange reactions between an ester and an alcohol, between an ester and an acid, and between two
Burdock GA
Encyclopedia of Food and Color Additives, 1, 341-342 (1997)
Burdock GA
Encyclopedia of Food and Color Additives, 1, 341-342 (1997)
Evaluation of odor lures for use with red sticky spheres to trap apple maggot (Diptera: Tephritidae).
Reynolds AH & Prokopy RJ.
Journal of Economic Entomology, 90(6), 1655-1660 (1997)

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