2,2-ジメチルオクタン酸

2,2-Dimethyloctanoic acid

HCID 62847

基本情報

CAS
29662-90-6
標準SMILES
CCCCCCC(C)(C)C(=O)O
InChIKey
IKNDGHRNXGEHTO-UHFFFAOYSA-N
分子式
C10H20O2
平均分子量
172.26 g/mol
単同位体質量
172.14632988

名称と識別子

優先名称
2,2-Dimethyloctanoic acid
IUPAC
2,2-dimethyloctanoic acid
現地名
2,2-ジメチルオクタン酸
英語名
2,2-Dimethyloctanoic acid
分子式
C10H20O2
分子量
172.26

名称と別名

2,2-Dimethyloctanoic acidOctanoic acid, 2,2-dimethyl-2,2-dimethyl octanoic acidUNII-5RV14V52PN5RV14V52PNDTXSID0058356.ALPHA.,.ALPHA.-DIMETHYLOCTANOIC ACIDRefChem:810972,2,-dimethyl octanoic acidalpha,alpha-dimethyloctanoic acidDTXCID40320872,2-DIMETHYLCAPRYLIC ACID
名称をさらに表示
2,2-ジメチルオクタン酸Butyl Parahydroxybenzoate Impurity 1 (Butyl Parahydroxybenzoate EP Impurity A)
29662-90-62,2-Dimethyloctanoicacid2,2-Dimethyloctanoic Acid; a,a-Dimethyloctanoic Acid; 2,2-Dimethyl-Octanoic Acid;2,2-Dimethyloctanoic acid #SCHEMBL284791EBA66290AKOS012034274AT41178

データベース識別子

CAS
29662-90-6
PubChem CID
62847
DTXSID
DTXSID0058356
UNII
5RV14V52PN
EC Number
980-158-3
Nikkaji
J283.209G

物性

構造計算による物性

XLogP
3.7
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
6
重原子数
12

実験および物理化学的性質

Physical Description2,2-dimethyl octanoic acid is a colorless liquid with a burning, rancid odor. Floats on water. (USCG, 1999)

物理化学的性質

沸点
262.98 °C · 262.98°C (estimate)
比重(密度)
0.9047 · 0.9047 (rough estimate)
屈折率
1.4175 · 1.4175 (estimate)
溶解性
DMSO (Slightly), Methanol (Slightly)
外見
Oil
酸解離定数(Pka)
4.86 · 4.86±0.45(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 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 InformationOctanoic acid, 2,2-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Health Hazards · 1 件

Irritating to the eyes, nose, throat, upper respiratory tract, and skin. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx and bronchi, chemical pneumonitis, and pulmonary edema. Symptoms of exposure may include burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, and vomiting. (USCG, 1999)

Reactive GroupAcids, Carboxylic
Reactivity Profile · 1 件

2,2-DIMETHYL OCTANOIC ACID reacts exothermically with bases. May corrode or dissolve iron, steel, and aluminum parts and containers. May react with active metals to form gaseous hydrogen and a metal salt. Reacts with cyanide salts to generate gaseous hydrogen cyanide. Reacts with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides to generate flammable and/or toxic gases and heat. Reacts with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Reacts with carbonates and bicarbonates to generate a harmless gas (carbon dioxide) but some heat. Exothermically oxidized by strong oxidizing agents and reduced by strong reducing agents to give a range of products. May initiate polymerization reactions or catalyze other chemical reactions.

Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and CategoriesSkin Irrit. 2 (100%);Eye Dam. 1 (100%);STOT SE 3 (100%)

安全と保護具

Fire FightingFire Extinguishing Agents: CO2, dry chemical, foam, or water spray. (USCG, 1999)
First Aid · 1 件

INHALATION: Remove victim to fresh air. If breathing has stopped, give artificial respiration. If breathing is difficult, give oxygen.;EYES: Hold eyelids open, flush with running water for at least 15 minutes.;SKIN: Remove contaminated clothing and shoes, flush affected areas with plenty of water.;INGESTION: Do nothing except keep victim warm. DO NOT INDUCE VOMITING. Call a physician. (USCG, 1999)

Nonfire Spill ResponseNeutralizing Agents for Acids and Caustics: Caustic soda, soda ash, lime (USCG, 1999)
Personal Protective Equipment (PPE)Approved respirator, chemical resistant gloves, chemical safety gloves, other protective clothing. (USCG, 1999)

法規制情報

Regulatory InformationOctanoic acid, 2,2-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

危険有害性情報
コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H302

化学と産業

応用分野

使用2,2-Dimethyloctanoic Acid is used in biological studies as benzyl dimethyloctanoate metabolite of sewage bacteria.

一般的な説明Colorless liquid with a burning, rancid odor. Floats on water.

サプライヤー4 社

安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
艾吉析科技(上海)有限公司17721401538;17717235263 17721401538 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]

関連反応

3 件

化合物ノート

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