Heptadecyl-hexadecyl-dimethylazanium | 8001-54-5

• 物质功能分类: 表面活性剂 - 阳离子表面活性剂 - 季铵盐型
• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Heptadecyl-hexadecyl-dimethylazanium
• CAS: 8001-54-5
• 化学式: C35H74N+
• 分子量: 509.0
• InChiKey: VUHVIYBUEGOBMT-UHFFFAOYSA-N

物化性质

• 沸点：
  >100°C/760mmHg
• 密度：
  0.98
• 溶解度：
  极易溶于水和乙醇（96%）。摇动时，水溶液会产生大量泡沫。
• LogP：
  1.692 (est)
• 稳定性/保质期：

  这是一种阳离子表面活性剂，属于非氧化性杀菌剂，具有广谱高效的杀菌能力，能够有效控制水中的藻类繁殖和黏泥生成，并且还具备良好的剥离黏泥作用以及一定的分散和渗透效果。

计算性质

• 辛醇/水分配系数(LogP)：
  16.3
• 重原子数：
  36
• 可旋转键数：
  31
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 危险品标志：
  C,N
• 安全说明：
  S45,S61
• 危险类别码：
  R21/22,R34,R50
• WGK Germany：
  3
• 海关编码：
  34021200
• 危险品运输编号：
  UN 3261 8/PG 3

SDS

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Section 1. Chemical Product and Company Identification
Benzalkonium chloride
Common Name/
Trade Name
Benzalkonium chloride
CARCINOGENIC EFFECTS: Not available.
Potential Chronic Health
MUTAGENIC EFFECTS: Not available.
Effects
TERATOGENIC EFFECTS: Not available.
DEVELOPMENTAL TOXICITY: Not available.
The substance may be toxic to kidneys, liver, heart, gastrointestinal tract, cardiovascular system, central
nervous system (CNS).
Repeated or prolonged exposure to the substance can produce target organs damage. Repeated exposure
of the eyes to a low level of dust can produce eye irritation. Repeated skin exposure can produce local skin
destruction, or dermatitis. Repeated inhalation of dust can produce varying degree of respiratory irritation or
lung damage.

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Section 4. First Aid Measures
Eye Contact Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water
for at least 15 minutes. Cold water may be used. Get medical attention immediately.
Skin Contact In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing
contaminated clothing and shoes. Cover the irritated skin with an emollient. Cold water may be used.Wash
clothing before reuse. Thoroughly clean shoes before reuse. Get medical attention immediately.
Serious Skin Contact Wash with a disinfectant soap and cover the contaminated skin with an anti-bacterial cream. Seek
immediate medical attention.
Inhalation If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Get medical attention immediately.
Evacuate the victim to a safe area as soon as possible. Loosen tight clothing such as a collar, tie, belt or
Serious Inhalation
waistband. If breathing is difficult, administer oxygen. If the victim is not breathing, perform mouth-to-mouth
resuscitation. WARNING: It may be hazardous to the person providing aid to give mouth-to-mouth
resuscitation when the inhaled material is toxic, infectious or corrosive. Seek immediate medical attention.
Ingestion Do NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to
an unconscious person. If large quantities of this material are swallowed, call a physician immediately.
Loosen tight clothing such as a collar, tie, belt or waistband.
Serious Ingestion Not available.

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Section 5. Fire and Explosion Data
Flammability of the Product May be combustible at high temperature.
Auto-Ignition Temperature Not available.
Flash Points OPEN CUP: 250°C (482°F).
Flammable Limits Not available.
Products of Combustion Not available.
Fire Hazards in Presence of Slightly flammable to flammable in presence of heat.
Various Substances
Explosion Hazards in Risks of explosion of the product in presence of mechanical impact: Not available.
Presence of Various Risks of explosion of the product in presence of static discharge: Not available.
Substances
Fire Fighting Media SMALL FIRE: Use DRY chemical powder.
and Instructions LARGE FIRE: Use water spray, fog or foam. Do not use water jet.
As with most organic solids, fire is possible at elevated temperatures
Special Remarks on
Fire Hazards
Special Remarks on Explosion Fine dust dispersed in air in sufficient concentrations, and in the presences of an ignition source is a
Hazards potential dust explosion hazard.
Benzalkonium chloride

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Section 6. Accidental Release Measures
Small Spill Use appropriate tools to put the spilled solid in a convenient waste disposal container.
Large Spill Corrosive solid.
Stop leak if without risk. Do not get water inside container. Do not touch spilled material. Use water spray
to reduce vapors. Prevent entry into sewers, basements or confined areas; dike if needed. Eliminate all

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Section 7. Handling and Storage
Keep container dry. Keep away from heat. Keep away from sources of ignition. Do not ingest. Do not
Precautions
breathe dust. In case of insufficient ventilation, wear suitable respiratory equipment. If ingested, seek
medical advice immediately and show the container or the label. Avoid contact with skin and eyes. Keep
away from incompatibles such as oxidizing agents, moisture.
Storage Keep container tightly closed. Keep container in a cool, well-ventilated area.

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Section 8. Exposure Controls/Personal Protection
Engineering Controls Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels
below recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep
exposure to airborne contaminants below the exposure limit.
Personal Protection Splash goggles. Synthetic apron. Vapor and dust respirator. Be sure to use an approved/certified
respirator or equivalent. Gloves.
Personal Protection in Case of Splash goggles. Full suit. Vapor and dust respirator. Boots. Gloves. A self contained breathing apparatus
a Large Spill should be used to avoid inhalation of the product. Suggested protective clothing might not be sufficient;
consult a specialist BEFORE handling this product.
Exposure Limits Not available.

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Section 9. Physical and Chemical Properties
Physical state and appearance Solid. (Amorphous solid powder or lumps. Odor Aromatic.
Gelatinous pieces or thick gel.)
Taste Bitter. (Strong.)
Molecular Weight Not available.
White to yellowish.
Color
pH (1% soln/water) Not available.
Boiling Point Not available.
Decomposition temperature: >140°C (284°F)
Melting Point
Critical Temperature Not available.
0.98 (Water = 1)
Specific Gravity
Vapor Pressure Not applicable.
Vapor Density Not available.
Volatility Not available.
Odor Threshold Not available.
Not available.
Water/Oil Dist. Coeff.
Ionicity (in Water) Not available.
See solubility in water, acetone.
Dispersion Properties
Solubility Easily soluble in cold water, hot water.
Soluble in acetone.
Very slightly soluble in diethyl ether.
Very soluble in alcohol.
Soluble in benzene. Solubility in Benzene: 1 g dissolves in 6 ml of benzene.
Solubility in Ether: 1 g dissolves in 100 ml of Ether
Benzalkonium chloride

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Section 10. Stability and Reactivity Data
The product is stable.
Stability
Instability Temperature Not available.
Excess heat, dust generation, moisture, incompatible materials.
Conditions of Instability
Incompatibility with various Reactive with oxidizing agents.
substances
Non-corrosive in presence of glass.
Corrosivity
Special Remarks on Hygroscopic. Also incompatible with nitrates, anion detergents
Reactivity
Special Remarks on Not available.
Corrosivity
Will not occur.
Polymerization

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Section 11. Toxicological Information
Routes of Entry Inhalation. Ingestion.
Toxicity to Animals Acute oral toxicity (LD50): 240 mg/kg [Rat].
Chronic Effects on Humans May cause damage to the following organs: kidneys, liver, heart, gastrointestinal tract, cardiovascular
system, central nervous system (CNS).
Other Toxic Effects on Very hazardous in case of skin contact (irritant), of ingestion, .
Humans Hazardous in case of skin contact (corrosive), of eye contact (corrosive), of inhalation (lung corrosive).
Special Remarks on Not available.
Toxicity to Animals
Special Remarks on May affect genetic material (mutagenic).
Chronic Effects on Humans May cause adverse reproductive effects based on animal test data. Benzalkonium Chloride is an active
ingredient in vaginal spermacides. When applied in the vagina of pregnant rats at much higher doses than
those used in spermacides, it caused increased resorptions leading to fetal death, and reduced litter size
and weight. No adverse reproductive effects have been reported after oral treatment of rats and guinea pigs
and dermal administration to rats.
Special Remarks on other Acute Potential Health Effects:
Toxic Effects on Humans Skin: Causes severe skin irritation and burns.
Eyes: Causes sever eye irritation and burns.
Ingestion: Harmful if swallowed. May cause severe and permanent damage to the digestive tract. Causes
gastrointestinal (digestive) tract burns. May affect behavior (central nervous system depression,
depression) and metabolism. May produce burning pains in the mouth, throat, and abdomen, profuse
salivation, muscle weakness. May also affect the respiratory system and cardiovascular system, liver and
kidneys.
Inhalation: May cause severe irritation of the respiratory tract with sore throat, coughing, shortness of
breath, and delayed lung edema. Causes chemical burns to the respiratory tract. Causes irritation of the
mucous membranes.
Chronic Potential Health Effects: May affect material (mutagenic) and may cause adverse reproductive
effects.
Prolonged or repeated skin contact may cause dermatitis.
Repeated or prolonged exposure may cause allergic reactions in sensitive individuals. May cause cyanosis
of the skin and lips caused by lack of oxygen.

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Section 12. Ecological Information
Not available.
Ecotoxicity
Not available.
BOD5 and COD
Products of Biodegradation Possibly hazardous short term degradation products are not likely. However, long term degradation
products may arise.
Toxicity of the Products Not available.
of Biodegradation
Benzalkonium chloride
Special Remarks on the Not available.
Products of Biodegradation

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Section 13. Disposal Considerations
Waste Disposal Waste must be disposed of in accordance with federal, state and local environmental
control regulations.

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Section 14. Transport Information
DOT Classification Class 8: Corrosive material
CLASS 6.1: Poisonous material.
UNNA: 2923 : Corrosive solid, toxic, n.o.s. (Benzalkonium Chloride) PG: II
Identification
Special Provisions for Not available.
Transport
DOT (Pictograms)

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Section 15. Other Regulatory Information and Pictograms
Federal and State No products were found.
Regulations
California prop. 65: This product contains the following ingredients for which the State of California has
California
Proposition 65 found to cause cancer which would require a warning under the statute: No products were found.
Warnings
California prop. 65: This product contains the following ingredients for which the State of California has
found to cause birth defects which would require a warning under the statute: No products were found.
Other Regulations OSHA: Hazardous by definition of Hazard Communication Standard (29 CFR 1910.1200).
Canada: Listed on Canadian Domestic Substance List (DSL).
China: Listed on National Inventory.
Japan: Listed on National Inventory (ENCS).
Korea: Listed on Natioinal Inventory (KECI).
Philippines: Listed on National Inventory (PICCS).
Australia: Listed on AICS.
WHMIS (Canada) CLASS D-1B: Material causing immediate and serious toxic effects (TOXIC).
Other Classifications
CLASS E: Corrosive solid.
DSCL (EEC) R21/22- Harmful in contact with skin S26- In case of contact with eyes, rinse
and if swallowed. immediately with plenty of water and seek
R34- Causes burns. medical advice.
R50- Very toxic to aquatic S28- After contact with skin, wash
organisms. immediately with plenty of water.
S36/37/39- Wear suitable protective clothing,
gloves and eye/face protection.
S45- In case of accident or if you feel unwell,
seek medical advice immediately (show the
label where possible).
S61- Avoid release to the environment.
Refer to special instructions/Safety data
sheets.
Health Hazard
HMIS (U.S.A.) 3 National Fire Protection
1 Flammability
1 Association (U.S.A.)
Fire Hazard
3 0 Reactivity
Health
Reactivity
0
Specific hazard
Personal Protection
j
Benzalkonium chloride
WHMIS (Canada)
(Pictograms)
DSCL (Europe)
(Pictograms)
TDG (Canada)
(Pictograms)
ADR (Europe)
(Pictograms)
Protective Equipment
Gloves.
Synthetic apron.
Vapor and dust respirator. Be sure to
use an approved/certified respirator or
equivalent. Wear appropriate respirator
when ventilation is inadequate.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

苯扎氯铵简介

苯扎氯铵（简称：BAC）属于季铵盐类化合物，作为阳离子表面活性剂类广谱杀菌剂，能有效控制水中菌藻繁殖和粘泥生长，并具有良好的粘泥剥离作用和一定的分散、渗透作用。同时，它还具有一定的去油、除臭能力和缓蚀作用。由于其强大的杀菌效果，广泛用于医疗手术器械消毒以及水溶液中的抑菌剂。

用途与应用

• 医疗领域：用于皮肤与黏膜的消毒、肠道灌洗及某些液体药剂中作抑菌剂；手术前与手臂消毒用0.1%溶液浸泡5分钟；皮肤与黏膜消毒用0.05%-0.1%溶液；阴道灌洗用0.02%-0.05%溶液；膀胱与尿道灌洗用0.005%-0.02%溶液；保留灌洗用0.0025%溶液；滴眼液中作抑菌剂用0.01%；金属器械消毒，用0.1%溶液浸泡30分钟；贮存已消毒器械用0.02%溶液，并加0.2%的亚硝酸钠为防腐剂。
• 工业领域：可用作阳离子染料的匀染剂、工业水的杀菌除藻剂及畜牧栏舍、谷物仓库、蚕室以及蘑菇、白木耳等经济作物的消毒防霉剂。

安全与储存

• 注意事项：不宜与肥皂、合成洗涤剂等阴离子清洁剂同时使用，避免与无机盐（如枸橼酸盐、碘化物等）配伍。
• 毒性：属于高毒物品。口服大鼠LD50为300毫克/公斤；小鼠LD50为150毫克/公斤。
• 刺激性：眼睛接触后，兔子眼中浓度为0.008毫克时造成重度刺激。
• 可燃性：遇火可燃，并释放有毒氮氧化物和氯化物烟雾。

生产方法

将213千克二甲基十二烷胺投入反应釜中，升温并开启搅拌，在40℃以下分批加入107千克苄基氯。在50℃加热3-4小时后冷却至80℃左右出料灌装，即得成品。

化学性质

苯扎氯铵为黄白色蜡状固体或胶状体，密度范围0.96～0.985克/立方厘米，在水中易溶、微溶于乙醇，具有芳香味。耐光、耐压、耐热且无挥发性。在振摇时会产生大量泡沫。

含量测定

一种检测土壤中苯扎氯铵含量的方法包括以下步骤：

1. 去除待测土壤中的石子、植物根系及残体等杂质，进行真空冷冻干燥并研磨过筛得到检测土样。
2. 将甲酸、乙腈和超纯水混合制成酸性提取液加入上述土样中，在恒温摇床振荡提取后离心过滤分离上清液。滤渣重复该步骤，并合并两次的上清液，于4℃以下保存。
3. 在所得上清液中加入硅藻土并用涡旋仪充分混合净化，随后离心过滤通过0.22微米滤膜获得检测液。
4. 使用UPLC-MS/MS技术测定该检测液中的苯扎氯铵含量。

储存与运输

需通风低温干燥存放，并与其他库房食品原料分开。灭火剂可选用干粉、泡沫、砂土或二氧化碳，亦可用雾状水扑灭火灾。

文献信息

• Process for producing lactam
  申请人：——

  公开号：US20040215013A1

  公开（公告）日：2004-10-28

  A method for producing a lactam, which comprises subjecting an alicyclic primary amine to an oxidation reaction in the presence of a catalyst comprising a silicon oxide, to thereby obtain a lactam. A catalyst comprising a silicon oxide which is for use in the above-mentioned method.

  一种生产内酰胺的方法，包括将脂环原始胺置于存在硅氧化物催化剂的氧化反应中，从而获得内酰胺。一种包括硅氧化物的催化剂，用于上述方法。
• Dérivés hydroxylés de l'aldéhyde campholénique, leur utilisation à titre d'ingrédients parfumants et composition parfumante les contenant
  申请人：FIRMENICH SA

  公开号：EP0155591A2

  公开（公告）日：1985-09-25

  Les composés de formula dans laquelle: a. R1 = CH3; n=m=1; R2 = CH3; R3 = R4 = H, b. R1 = CH2; n=0; m=1; R2 = CH3; R3 = R4 = H, c. R1 = CH-CH3; n=0; m=1; R2 = CH3; R3 = R4 = H, d. R1 = H; n=m=0; R2 = R4 = CH3; R3 = C2H5, e. R1 = H; n=m=0; R2 = R3 = R4 = CH3, f. R1 = H; n=m=0; R2 = CH3; R3 = C2H5; R4 = H, g. R1 = H; n=m=0; R2 = R3 = CH3; R4 = H, h. R1 = H; n=m=1; R2 = CH3 R3 = C2H5; R4 = H i. R1 = H; n=m=1; R2 = R3 = CH3 ; R4 = H et dans laquelle l'une des lignes pointillées indique une liaison simple carbone-carbone et l'autre une liaison double, ou chacune des deux indique une liaison simple, possèdent des propriétés odorantes de type bois-santalé et, par conséquent, trouvent une utilisation pour la préparation des parfums et produits parfumés.

  式的化合物 其中 a.R1 = CH3; n=m=1; R2 = ; R3 = R4 = H、 b.R1 = CH2; n=0; m=1; R2 = ; R3 = R4 = H、 c.R1 = CH- ；n=0；m=1；R2 = ；R3 = R4 = H、 d.R1 = H; n=m=0; R2 = R4 = ; R3 = C2H5、 e.R1 = H; n=m=0; R2 = R3 = R4 = 、 f.R1 = H; n=m=0; R2 = ; R3 = ; R4 = H、 g.R1 = H; n=m=0; R2 = R3 = ; R4 = H、 h.R1 = H; n=m=1; R2 = R3 = ; R4 = H i.R1 = H; n=m=1; R2 = R3 = ; R4 = H 其中一条虚线表示碳-碳单键，另一条虚线表示碳-碳单键。 其中一条虚线表示碳-碳单键，另一条虚线表示双键，或者两条虚线都表示单键，具有檀香类型的芳香特性，因此可用于制备香水和香料产品。
• Composition cosmétique et/ou dermatologique biphasée, utile notamment pour le démaquillage des yeux
  申请人：L'OREAL

  公开号：EP0976384A1

  公开（公告）日：2000-02-02

  L'invention concerne une composition cosmétique et/ou dermatologique constituée d'une phase aqueuse et d'une phase huileuse distinctes, contenant, comme conservateur, au moins un bromure d'ammonium et notamment un bromure de alkyl-triméthylammonium, plus particulièrement le bromure de myristyl-triméthylammonium. Selon un mode préféré de réalisation de l'invention, le bromure de myristyltriméthylammonium est utilisé en mélange avec d'autres bromures d'ammonium, éventuellement en association avec du chlorure de N-(3-chloroallyl)-hexaminium. Cette composition tout en se présentant sous forme de deux phases est bien tolérée par les yeux et se conserve parfaitement bien. Elle est utilisée notamment pour le nettoyage et/ou le démaquillage de la peau, des muqueuses et/ou des yeux, et tout particulièrement pour le démaquillage des yeux sensibles.

  本发明涉及一种由单独的水相和单独的油相组成的化妆品和/或皮肤科组合物，该组合物含有至少一种溴化铵，特别是烷基三甲基溴化铵，尤其是肉豆蔻基三甲基溴化铵，作为防腐剂。 根据本发明的一种优选实施方式，肉豆蔻基三甲基溴化铵与其他溴化铵混合使用，也可选择与 N-（3-氯烯丙基）-六氯化铵混合使用。 这种两相组合物对眼睛有很好的耐受性，并能很好地保存。它特别适用于清洁和/或卸除皮肤、粘膜和/或眼睛上的化妆品，尤其适用于卸除敏感眼睛上的化妆品。
• Emulsion H/E cosmetique ou dermatologique de pH stable
  申请人：L'OREAL

  公开号：EP1525875A1

  公开（公告）日：2005-04-27

  La présente invention se rapporte à une composition cosmétique et/ou dermatologique sous forme d'émulsion huile-dans-eau susceptible d'être obtenue par inversion de phase, dans laquelle la taille moyenne des globules d'huile va de 50 nm à 1000 nm, caractérisée par le fait qu'elle contient au moins un bromure d'alkyl-triméthylammonium. L'incorporation d'un bromure d'alkyl-triméthylammonium et notamment du bromure de myristyl-triméthylammonium permet d'obtenir une émulsion qui, tout en ayant une bonne protection bactériologique, présente l'avantage d'avoir un pH qui reste stable au cours du temps, même à température au-dessus de la température ambiante. Les compositions de l'invention peuvent être utilisées dans de nombreuses applications cosmétiques et dermatologiques. Elles peuvent être également utilisées pour imprégner un support et constituer une lingette pour la peau.

  本发明涉及一种可通过相反转获得的水包油乳液形式的化妆品和/或皮肤科组合物，其中油球的平均粒径为 50 nm 至 1000 nm，其特征在于至少含有一种烷基三甲基溴化铵。 烷基三甲基溴化铵，特别是肉豆蔻基三甲基溴化铵的加入，使得乳液在具有良好的细菌保护作用的同时，还具有 pH 值长期保持稳定的优点，即使在室温以上的环境中也是如此。 本发明的组合物可用于多种化妆品和皮肤病治疗。它们还可用于浸渍支撑物和形成皮肤擦拭布。
• Composition démaquillante
  申请人：L'OREAL

  公开号：EP1543812A1

  公开（公告）日：2005-06-22

  L'invention a pour objet une composition cosmétique démaquillante comprenant, dans un milieu physiologiquement acceptable, un mélange d'huiles comprenant l'isohexadécane, le myristate d'isopropyle et le laurate d'hexyle. La composition selon l'invention est efficace pour le démaquillage et présente un bon confort oculaire. Elle peut être utilisée notamment pour le démaquillage de la peau et/ou de la zone oculaire, et plus particulièrement pour le démaquillage des produits waterproof et sans transfert.

  本发明的目的是一种化妆品卸妆组合物，在生理上可接受的介质中，该组合物包含由十六烷 异辛烷、肉豆蔻酸异丙酯和月桂酸己酯组成的油类混合物。 本发明的组合物具有良好的卸妆效果和眼部舒适度。它特别适用于卸除皮肤和/或眼部的化妆品，尤其适用于卸除防水和非转移性产品上的化妆品。