3-オクテン酸

3-Octenoic acid

HCID 15307
ノート反応
部分構造検索類似構造を探す

基本情報

CAS
1577-19-1
標準SMILES
CCCCC=CCC(=O)O
InChIKey
IWPOSDLLFZKGOW-UHFFFAOYSA-N
分子式
C8H14O2
平均分子量
142.2 g/mol
単同位体質量
142.09937969

名称と識別子

優先名称
3-Octenoic acid
IUPAC
oct-3-enoic acid
現地名
3-オクテン酸
英語名
3-Octenoic acid
分子式
C8H14O2
分子量
142.2

名称と別名

DTXSID006179952M4D39OOYRefChem:855405DTXCID7035068FEMA NO. 43622-HEPTENE-1-CARBOXYLIC ACID216-418-31577-19-13-Octenoic acidoct-3-enoic acidoct-3-enoicacidMFCD00016562
名称をさらに表示
3-オクテン酸Octenoicacid3-OctenoicAcid>3-OCTENOIC ACID 95+%TRANS-3-OCTENOIC ACID3-OCTENOIC ACID TECH 85%3-Octenoic acid, tech. 85%
SCHEMBL586011IWPOSDLLFZKGOW-UHFFFAOYSA-N

データベース識別子

CAS
1577-19-1
PubChem CID
15307
DTXSID
DTXSID0061799
EC Number
216-418-3

物性

構造計算による物性

XLogP
2.3
極性表面積
37.3 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
5
重原子数
10

実験および物理化学的性質

Density0.928-0.938 (20 °C)
Solubility · 2 件

Slightly soluble in water; soluble in most organic solvents

Soluble (in ethanol)

Boiling Point240-242 °C
Refractive Index1.443-1.450
Physical DescriptionWhite solid; Oily, fatty aroma

物理化学的性質

融点
1.7 °C · 1.7°C (estimate)
沸点
237 · 237-240°C
比重(密度)
0.9565 · 0.9565 (rough estimate)
FEMA
4362 · 4362 | 3-OCTENOIC ACID
屈折率
1.442 · 1.4420-1.4470
闪点
110 °C · >110 °C

化学的性質

化学的特性White solid; oily, fatty aroma.

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (46.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 79 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information3-Octenoic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1C (100%)；Eye Dam. 1 (46.8%)

法規制情報

Regulatory Information3-Octenoic acid: Does not have an individual approval but may be used under an appropriate group standard

安全データ

tsca
TSCA listed
ridadr
3265
hs_code
2916.19.3000
risk_code
34
化審法
(2)-609
消防法
危-4-3-III

化学と産業

用途と製造

Use Classification · 3 件

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information3-Octenoic acid: ACTIVE

サプライヤー26 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]

関連反応

2 件
反応記録を作成

化合物ノート

読み込み中…