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Merck

W370304

Sigma-Aldrich

DL-3-甲基-2-丁醇

≥98%, FG

别名:

3-甲基-2-丁醇, 异丙基甲基甲醇

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About This Item

线性分子式:
(CH3)2CHCH(OH)CH3
CAS号:
分子量:
88.15
FEMA號碼:
3703
Beilstein:
1718800
EC號碼:
MDL號碼:
分類程式碼代碼:
12164502
PubChem物質ID:
Flavis號碼:
2.111
NACRES:
NA.21

生物源

synthetic

等級

FG

agency

meets purity specifications of JECFA

法律遵循

EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 110

化驗

≥98%

折射率

n20/D 1.409 (lit.)

bp

112 °C (lit.)

密度

0.818 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

fruity

SMILES 字串

CC(C)C(C)O

InChI

1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3

InChI 密鑰

MXLMTQWGSQIYOW-UHFFFAOYSA-N

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象形圖

FlameExclamation mark

訊號詞

Warning

危險聲明

危險分類

Acute Tox. 4 Inhalation - Flam. Liq. 3 - STOT SE 3

標靶器官

Respiratory system

安全危害

儲存類別代碼

3 - Flammable liquids

水污染物質分類(WGK)

WGK 1

閃點(°F)

93.2 °F - closed cup

閃點(°C)

34 °C - closed cup

個人防護裝備

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation

实验方案

Separation of Acetone; Acetic acid; Propionic acid; Ethyl butyrate; Ethanol; Isoamyl acetate; Isobutyric acid; 3-Methyl-2-butanol; Methyl acetate; 1-Propanol; Acetal, ≥98%, FG; 2-Methyl-1-pentanol; Butyl acetate; Ethyl propionate; 3-Pentanol; 2-Pentanol, 98%; Ethyl isobutyrate; Isobutyl acetate; Acetaldehyde; Furfural; Butyric acid; Methanol; Ethyl acetate

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