N,N-ジメチル-N-[(Z)-9-オクタデセニル]ベンゼンメタンアミニウム·クロリド

Olealkonium chloride

HCID 6436635CAS 37139-99-4

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCCCCCC/C=C\CCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]
InChIKey: RWUKNUAHIRIZJG-AFEZEDKISA-M
分子式: C27H48ClN
平均分子量: 422.1 g/mol
単同位体質量: 421.3475282

名称と識別子

優先名称: Olealkonium chloride
IUPAC: benzyl-dimethyl-[(Z)-octadec-9-enyl]azanium chloride
現地名: N,N-ジメチル-N-[(Z)-9-オクタデセニル]ベンゼンメタンアミニウム·クロリド
英語名: benzyldimethyloleylammonium chloride
分子式: C27H48ClN
分子量: 422.14

名称と別名

Olealkonium chlorideBenzyldimethyloleylammonium chlorideRhodaquat 7LUFCycloton 7LUFBenzyloleyldimethylammonium chlorideEINECS 253-363-4UNII-3ZPS90WA31Oleyl dimethyl benzyl ammonium chloride3ZPS90WA31MACKERNIUM KPMAQUAT OACBenzenemethanaminium, N,N-dimethyl-N-(9Z)-9-octadecenyl-, chloride

名称をさらに表示

N,N-ジメチル-N-[(Z)-9-オクタデセニル]ベンゼンメタンアミニウム·クロリド[(Z)-9-オクタデセニル]ジメチルベンジルアミニウム·クロリドN,N-ジメチル-N-[(Z)-9-オクタデセニル]ベンゼンメタンアミニウム・クロリド[(Z)-9-オクタデセニル]ジメチルベンジルアミニウム・クロリドAmmonyx kp[(Z)-9-Octadecenyl]dimethylbenzylaminium·chloride

N-Oleyl-N,N-dimethylbenzylammonium chlorideINCROQUAT O-50OLEYL ALKONIUM CHLORIDE(Z)-N,N-Dimethyl-N-9-octadecenylbenzenemethanaminium chlorideBenzenemethanaminium, N,N-dimethyl-N-9-octadecenyl-, chlorideDTXSID20424143oleyldimethylbenzylammonium chlorideALKONIUM CHLORIDE [WHO-DD]

データベース識別子

CAS: 37139-99-4
PubChem CID: 6436635
DTXSID: DTXSID20424143
UNII: 3ZPS90WA31
EC Number: 253-363-4

物性

構造計算による物性

極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 18
重原子数: 29
形式電荷: 0
複雑度: 351

物理化学的性質

化粧品成分の機能: ヘアコンディショニング
LogP: 4.662 · 4.662 (est)
EPAの化学物質情報: 9 Z)-9-octadecenyl-, · Benzenemethanaminium, N,N-dimethyl-N-(9Z)-9-octadecenyl-, chloride (37139-99-4)

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 18.8% (3 of 16) of reports.

Danger

H315 (81.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (81.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H400 (81.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P264, P264+P265, P273, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 16 reports by companies from 2 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 16 reports by companies.；There is 1 notification provided by 13 of 16 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 · 2 件

Chemical: Benzenemethanaminium, N,N-dimethyl-N-9-octadecenyl-, chloride, (Z)-

Benzenemethanaminium, N,N-dimethyl-N-(9Z)-9-octadecenyl-, chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (81.2%)；Eye Dam. 1 (81.2%)；Aquatic Acute 1 (81.2%)

法規制情報

Regulatory Information · 2 件

Chemical: Benzenemethanaminium, N,N-dimethyl-N-9-octadecenyl-, chloride, (Z)-

Benzenemethanaminium, N,N-dimethyl-N-(9Z)-9-octadecenyl-, chloride: Does not have an individual approval but may be used under an appropriate group standard

安全データ

tsca: TSCA listed
毒性: skn-rbt 500 mg/24H SEV NTIS** OTS0539871

化学と産業

用途と製造

Household ProductsInformation on 34 consumer products that contain Olealkonium chloride in the following categories is provided:；• Personal Care

Use ClassificationCosmetics -> Hair conditioning

General Manufacturing InformationBenzenemethanaminium, N,N-dimethyl-N-(9Z)-9-octadecen-1-yl-, chloride (1:1): ACTIVE

サプライヤー4 社

北京华美互利生物化工010-56205725 · [email protected]

陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]

DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]

補足説明

定義本品は、4級アンモニウム塩であり、次の化学式で表される。