プロピオン酸 メチル

Methyl propionate

HCID 11124CAS 554-12-1

基本情報

標準SMILES
CCC(=O)OC
InChIKey
RJUFJBKOKNCXHH-UHFFFAOYSA-N
分子式
C4H8O2
平均分子量
88.11 g/mol
単同位体質量
88.05242949

名称と識別子

優先名称
Methyl propionate
IUPAC
methyl propanoate
現地名
プロピオン酸 メチル
英語名
Methyl propionate
分子式
C4H8O2
分子量
88.11

名称と別名

METHYL PROPIONATE554-12-1Methyl propylatePropionate de methyleFEMA No. 2742FEMA Number 2742Methyl Propionate (natural)NSC 9375HSDB 5688EINECS 209-060-4UNII-NB21C0D33WBRN 1737628
名称をさらに表示
プロピオン酸 メチルプロピオン酸メチルメチル=プロピオナートプロパン酸メチルプロピオン酸メチルエステルプロパン酸メチルエステルメチルプロピオネートプロピオン酸メチル [GC用標準物質]プロピオン酸メチル標準品プロピオン酸メチル, 99%プロピオン酸メチルエステル標準品C3FEMA 2742C2H5COOCH3femanumber2742METHYLPROPIONATTRIANOIC METHYLpropionatedemethyle
NB21C0D33WAI3-10621NSC-93754-02-00-00704 (Beilstein Handbook Reference)RefChem:6027209-060-4Methyl propanoatePropanoic acid, methyl ester

データベース識別子

CAS
554-12-1
PubChem CID
11124
DTXSID
DTXSID7027201
ChEMBL
CHEMBL3183973
ChEBI
CHEBI:89873
UNII
NB21C0D33W
EC Number
209-060-4
Nikkaji
J2.654I

物性

構造計算による物性

XLogP
0.8
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
2
重原子数
6

物理化学的性質

融点
-88 °C · -88 °C (lit.)
沸点
79 °C · 79 °C (lit.)
比重(密度)
0.915 g/mL · 0.915 g/mL at 25 °C (lit.)
蒸気密度
3 · 3 (vs air)
蒸気圧
40 mm · 40 mm Hg ( 11 °C)
屈折率
20 · n20/D 1.376(lit.)

化学的性質

化学的特性Methyl propionate is colorless liquid with a sweet, fruity, rum-like odor.

安全と法規制

安全データ

wgk
1
tsca
TSCA listed
rtecs
UF5970000
ridadr
UN 1248
毒性
LD50 orally in Rabbit: 5000 mg/kg
hs_code
2915 50 00

化学と産業

応用分野 · 4 件

説明Methyl propionate, also known as methyl propanoate, is a chemical compound with the molecular formula C4H8O2. It is a volatile ester with a sweet, fruity, rum-like odor.

天然物の起源Reported found in guava, honey, melon, pineapple, raspberry, blackberry, strawberry, cheddar cheese, cooked beef, coffee, soy protein, durian (Durio zibethinus), starfruit, plum brandy, cherimoya, kiwifruit, naranjilla, mussels and rooibus tea (Aspalathus linearis)

使用Methyl propionate is used as a solvent for cellulose nitrate and lacquers, and as a raw material for the production of paints, varnishes and other chemicals such as methyl methacrylate. Due to its fruity smell and taste, it is also used in fragrances and flavoring.

一般的な説明A clear colorless liquid. Flash point 28°F. Density about the same as water. Vapors heavier than air. May irritate skin, eyes, and mucous membranes. Used for flavoring and as a solvent.

調製方法 · 3 件

製造方法Methyl propionate can be prepared by esterification of propionic acid with methanol. Industrially, it is prepared by the reaction of ethylene with carbon monoxide and methanol in the presence of nickel carbonyl.

Methyl propionate is produced by the direct esterification of propionic acid with methanol in the presence of concentrated sulfuric acid .

純化方法Wash the ester with saturated aqueous NaCl, then dry it with Na2CO3 and distil it from P2O5. (This removes any free acid and alcohol.) It has also been dried with anhydrous CuSO4. [Beilstein 2 IV 104.]

関連反応

86 件

関連ノート

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