ジメチルジステアリルアンモニウムクロリド

Distearyldimethylammonium chloride

HCID 7879CAS 107-64-2

基本情報

標準SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Cl-]
InChIKey
REZZEXDLIUJMMS-UHFFFAOYSA-M
分子式
C38H80ClN
平均分子量
586.5 g/mol
単同位体質量
585.5979293

名称と識別子

優先名称
Distearyldimethylammonium chloride
IUPAC
dimethyl(dioctadecyl)azanium chloride
現地名
ジメチルジステアリルアンモニウムクロリド
英語名
Dioctadecyl dimethyl ammonium chloride
分子式
C38H80ClN
分子量
586.5

名称と別名

107-64-2DIMETHYLDIOCTADECYLAMMONIUM CHLORIDEDimethyldistearylammonium chlorideVarisoft 100Aliquat 207Quaternium-5Surfroyal DSACCation DSGenamin DSACQuartamin D 86Quartamin DM 86PArosurf TA 100
名称をさらに表示
ジメチルジステアリルアンモニウムクロリドジメチルビスオクタデシルアミニウム·クロリドジメチルビス(オクタデシル)アミニウム·クロリドアリクアット207アルクアッドR-40ジメチルジステアリルアミニウム·クロリドN,N-ジオクタデシル-N,N-ジメチルアミニウム·クロリドビスオクタデシルジメチルアミニウム·クロリドN,N-ジメチル-N-オクタデシル-1-オクタデカンアミニウム·クロリドジステアリルジメチルアンモニウムクロリドアリクワット207ジステアリルジメチルアミニウム·クロリドジオクタデシルジメチルアンモニウム·クロリドジオクタデシルジメチルアンモニウムクロリドジオクタデシルジメチルアミニウム·クロリドジメチルジオクタデシルアミニウム·クロリド塩化ジステアリルジメチルアンモニウムジメチルジオクタデシルアンモニウム=クロリドジステアリルジモニウムクロリドジメチルジオクタデシルアンモニウムクロリドDDACDODACDODMACdistearylquaternium5distearyldimoniumchloridekd83
Arquad R 40Dehyquart DAMQuaternium 5Sokalan 9200Adogen TA 100Dioctadecyldimethylammonium chlorideCedequat TD 75Distearyldimethylammonium chloride

データベース識別子

CAS
107-64-2
PubChem CID
7879
UNII
OM9573ZX3X
EC Number
203-508-2

物性

構造計算による物性

極性表面積
0 Ų
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
34
重原子数
40

実験および物理化学的性質

LogPlog Kow= 3.80
DensityDensity (at 88 °C): 0.84 g/cm³
Color/FormPowder
Solubility · 2 件

Virtually insoluble in water.

Solubility in water: none

Decomposition · 2 件

When heated to decomposition it emits very toxic fumes of /nitrogen oxides and hydrogen chloride/.

135 °C

Vapor PressureVapor pressure, Pa at 25 °C:

物理化学的性質

融点
72 · 72~122℃
沸点
700.52 °C · 700.52°C (rough estimate)
比重(密度)
0.8274 · 0.8274 (rough estimate)
屈折率
1.6 · 1.6000 (estimate)
貯蔵温度
Inert atmosphere,Room Temperature
BRN
3580288 · 3580288

化学的性質

化学的特性light beige solid

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H318: Causes serious eye damage [Danger Serious eye damage/eye irritation];H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

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

Danger

危険有害性情報

Regulatory Information · 2 件

Chemical: 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, chloride

Dimethyldioctadecylammonium chloride: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Mono- and di-alkyl quaternary ammonium surfactants: Environment tier II assessment
Fire HazardsCombustible. Gives off irritating or toxic fumes (or gases) in a fire.
Hazards Summary · 1 件

A skin irritant; Corrosive to eyes; [ICSC] Usually not commercially available as isolated compound, but as the main constituent of dihydrogenated tallow dimethyl ammonium chloride (DHTDMAC), that is a mixture of dialkyl dimethyl ammonium compounds with varying length carbon chains of C12 to C20; [eChemPortal: SIDSUNEP] An irritant; May cause serious eye injury; [eChemPortal: ESIS] DHTDMAC is commercially available as a paste-like substance, powder, or aqueous emulsion and contains 32%, 40%, and 7% dimethyldioctadecylammonium chloride respectively; Technical grade DODMAC (77% dimethyldioctadecylammonium chloride, 11.3% isopropanol, and 11.7% water) was corrosive to rabbit skin; The pure compound caused moderate skin irritation and corrosive effects to eyes, based on rabbit studies; [eChemPortal: RAR]

EC ClassificationSymbol: Xi, N; R: 41-50/53; S: (2)-24-26-39-46-60-61
Chemical DangersDecomposes on heating. This produces toxic and corrosive fumes.

安全と保護具

Fire FightingUse water in large amounts, powder, alcohol-resistant foam, carbon dioxide.
First Aid Measures · 4 件

Fresh air, rest.

Remove contaminated clothes. Rinse skin with plenty of water or shower.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Do NOT induce vomiting. Give one or two glasses of water to drink. Refer for medical attention .

Cleanup MethodsACTIVATED-SLUDGE TREATMENT RESULTED IN 91.3% REMOVAL OF DIMETHYLDISTEARYLAMMONIUM CHLORIDE WITHOUT REDN OF THE ACTIVITY OF THE SLUDGE.
Disposal Methods · 1 件

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Spillage Disposal · 1 件

Vacuum spilled material with specialist equipment. If appropriate, moisten first to prevent dusting. Do NOT let this chemical enter the environment. Personal protection: particulate filter respirator adapted to the airborne concentration of the substance.

Eye PreventionWear safety goggles or eye protection in combination with breathing protection.

毒性情報

Interactions · 1 件

THE TOXICITY OF DISTEARYLDIMETHYLAMMONIUM CHLORIDE TO DAPHNIA MAGNA WAS REDUCED BY 32 TIMES IN THE PRESENCE OF LIGNIN. ENVIRONMENTAL COMPONENTS SUCH AS LINEAR ALKYLBENZENESULFONATE, FULVIC ACIDS, CHLORELLA VULGARIS CELLS, ACTIVATED SLUDGE, BENTONITE & SILICA GEL HAD SIMILAR EFFECT.

Environmental Fate · 3 件

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 1X10+10(SRC), determined from a log Kow of 3.80(2) and a regression-derived equation(3), indicates that dimethyldioctadecylammonium chloride is expected to be immobile in soil(SRC). Volatilization of dimethyldioctadecylammonium chloride from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 6.4X10-8 atm-cu m/mole(SRC), using a fragment constant estimation method(4). Dimethyldioctadecylammonium chloride is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.6X10-17 mm Hg(SRC), determined from a fragment constant method(5). In an OECD screening test, at a 2.5 mg/l concentration, dimethyldioctadecylammonium chloride degradation reaches over 90% in 2-4 days and at 10 mg/l concentration, a Zahn-Wellen test found degradation is nearly complete in 10 days(2).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1X10+10(SRC), determined from a log Kow of 3.80(2) and a regression-derived equation(3), indicates that dimethyldioctadecylammonium chloride is expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 6.4X10-8 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). According to a classification scheme(5), an estimated BCF of 71(SRC), from a log Kow(2) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is moderate. Dimethyldioctadecylammonium chloride biodegradation in river water is found to take place in 4.9-13.8 days(7,8), and an OECD and Zahn-Wellens screening test found degradation takes place in 2-10 days(2).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), dimethyldioctadecylammonium chloride, which has an estimated vapor pressure of 2.6X10-17 mm Hg at 25 °C(SRC), using a fragment constant estimation method(2), is expected to exist solely in the particulate phase. Particulate-phase dimethyldioctadecylammonium chloride may be removed from the air by wet and dry deposition(SRC).

Adverse EffectsDermatotoxin - Skin burns.
Signs and Symptoms · 4 件

Cough.

Redness. Pain.

Redness. Pain. Blurred vision. Severe deep burns.

Burning sensation in the throat and chest.

ICSC Environmental DataThe substance is toxic to aquatic organisms.
Soil Adsorption/Mobility · 1 件

The Koc of dimethyldioctadecylammonium chloride is estimated as 1X10+10(SRC), using a log Kow of 3.80(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that dimethyldioctadecylammonium chloride is expected to be immobile in soil.

法規制情報

Regulatory Information · 2 件

Chemical: 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, chloride

Dimethyldioctadecylammonium chloride: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk
2
tsca
TSCA listed
rtecs
BQ1923000
ridadr
UN 3077 9/PG 3
毒性
LD50 oral in rat: 11300mg/kg
hs_code
29349990

化学と産業

薬理情報

MeSH Pharmacological Classification · 3 件

Substances that augment, stimulate, activate, potentiate, or modulate the immune response at either the cellular or humoral level. The classical agents (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contain bacterial antigens. Some are endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Their mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy of many biological response modifiers is related to their antigen-specific immunoadjuvanticity.

Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.

Agents that modify interfacial tension of water; usually substances that have one lipophilic and one hydrophilic group in the molecule; includes soaps, detergents, emulsifiers, dispersing and wetting agents, and several groups of antiseptics.

Absorption, Distribution and Excretion(14)C-LABELED DIOCTADECYLDIMETHYLAMMONIUM CHLORIDE DID NOT EFFECTIVELY PENETRATE RABBIT SKIN & HUMAN INFANT ABDOMINAL SKIN.

用途と製造

Uses · 6 件

Used as fabric softener (retail, commercial, and textile mills), surfactant (i.e. hair rinses and cosmetics), and flocculating agent; [HSDB] Used in Germany to activate organic clays (bentonites); [eChemPortal: SIDSUNEP]

Textiles (Printing, Dyeing, or Finishing) [Category: Industry];Dressing Hair [Category: Other]

SURFACTANT; LAUNDRY SOFTENER

IN HAIR RINSE FORMULATIONS

FABRIC SOFTENER FOR RETAIL, COMMERCIAL & TEXTILE MILLS

CATIONIC SURFACTANT IN COSMETIC PRODUCTS-EG, CREME RINSES

U.S. Production · 3 件

(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS

(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS

(1993) Separate statistics for this item are not published to avoid disclosure of individual company operations.

Methods of ManufacturingPROBABLY BY REACTION OF METHYLDIOCTADECYLAMINE OR DIOCTADECYLAMINE WITH METHYL CHLORIDE IN THE PRESENCE OF SODIUM HYDROXIDE
Formulations/Preparations97% solids content
Household ProductsInformation on 45 consumer products that contain Distearyldimonium chloride in the following categories is provided:;• Personal Care
Use ClassificationCosmetics -> Hair conditioning; Antistatic
応用分野 · 3 件

用途柔軟仕上げ剤原料、化粧品原料。

用途家庭用柔軟仕上剤基剤、工業用繊維柔軟剤?帯電防止剤とLて使用される陽イオン性界面活性剤

使用Dioctadecyl dimethyl ammonium chloride is a useful quaternary ammonium salt for proteomics research.

上流・下流製品情報

サプライヤー50 社

北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
山东安米化工科技有限公司0533-0533-2115911 13396436781 · [email protected]
杭州埃肯新材料有限公司15258847994
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

補足説明

定義本品は、次の化学式で表される4級アンモニウム塩である。

定義A powder cationic-quaternary fabric softener.

関連反応

4 件

関連ノート

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