2-ブチルオクタン酸

2-Butyloctanoic acid

HCID 33970

基本情報

CAS
27610-92-0
標準SMILES
CCCCCCC(CCCC)C(=O)O
InChIKey
OARDBPIZDHVTCK-UHFFFAOYSA-N
分子式
C12H24O2
平均分子量
200.32 g/mol
単同位体質量
200.17763

名称と識別子

優先名称
2-Butyloctanoic acid
IUPAC
2-butyloctanoic acid
現地名
2-ブチルオクタン酸
英語名
2-BUTYLOCTANOIC ACID
分子式
C12H24O2
分子量
200.32

名称と別名

2-Butyloctanoic acidOCTANOIC ACID, 2-BUTYL-butyloctanoic acidEINECS 248-570-1BRN 1765736UNII-89379760R4ISOCARB 12 ACID4-02-00-01112 (Beilstein Handbook Reference)JARIC I-1289379760R4DTXSID40884907.ALPHA.-BUTYLCAPRYLIC ACID
名称をさらに表示
2-ブチルオクタン酸ブチルオクタン酸ISOLAURIC ACIDJARICTM I-122-Butyloctansure2-Butyloctansaeure2-butyl-octanoicaci2-butyl-caprylic acid5-undecanecarboxylicacid
RefChem:86048ALPHA-BUTYLCAPRYLIC ACIDBUTYLOCTANOIC ACID [INCI]DTXCID201024326(+-)-2-BUTYLOCTANOIC ACID2-BUTYLOCTANOIC ACID, (+-)-OARDBPIZDHVTCK-UHFFFAOYSA-N27610-92-0

データベース識別子

CAS
27610-92-0
PubChem CID
33970
DTXSID
DTXSID40884907
ChEMBL
CHEMBL1789216
UNII
89379760R4
EC Number
248-570-1
Nikkaji
J64.737C

物性

構造計算による物性

XLogP
4.3
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
9
重原子数
14

物理化学的性質

沸点
230 °C · 230 °C (lit.)
比重(密度)
0.887 g/mL · 0.887 g/mL at 25 °C (lit.)
蒸気圧
0.007 Pa · 0.007Pa at 20℃
屈折率
20 · n20/D 1.438(lit.)
闪点
113 °C · 113 °C
貯蔵温度
Sealed in dry,Room Temperature

化学的性質

化学的特性Colorless liquid

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 5.5% (3 of 55) of reports.

Warning

H315 (70.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (70.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (70.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H412 (23.6%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 3 of 55 reports by companies.;There are 3 notifications provided by 52 of 55 reports by companies with hazard statement code(s).;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 Information · 3 件

Chemical: Octanoic acid, 2-butyl-;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.

Status: Active Update: 30-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20154

Octanoic acid, 2-butyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationAssessment (Certificate) - Octanoic acid, 2-butyl-: Health and Environment
Hazard Classes and CategoriesSkin Irrit. 2 (70.9%);Eye Irrit. 2 (70.9%);STOT SE 3 (70.9%);Aquatic Chronic 3 (23.6%)

法規制情報

Regulatory Information · 3 件

Chemical: Octanoic acid, 2-butyl-;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.

Status: Active Update: 30-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20154

Octanoic acid, 2-butyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

安全データ

wgk
1
tsca
TSCA listed
rtecs
RH0368000
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

化学と産業

用途と製造

Use ClassificationCosmetics -> Surfactant; Cleansing; Emulsifying
General Manufacturing InformationOctanoic acid, 2-butyl-: ACTIVE

応用分野

一般的な説明2-Butyloctanoic acid is a 2-butyl-substituted carboxylic acid.

サプライヤー70 社

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
保定秉承新材料有限公司17531190177 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北盛明安化工有限公司13928406992 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]

補足説明

定義本品は、次の化学式で表される分岐脂肪酸である。

関連反応

4 件

化合物ノート

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