基本情報
- 標準SMILES
CCCCCCCCCCCCN- InChIKey
JRBPAEWTRLWTQC-UHFFFAOYSA-N- 分子式
- C12H27N
- 平均分子量
- 185.35 g/mol
概要
Dodecanamine appears as a yellow liquid with an ammonia-like odor. Insoluble in water and less dense than water. Hence floats on water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation or skin absorption. Used to make other chemicals.
名称と識別子
- 優先名称
- Dodecylamine
- IUPAC
- dodecan-1-amine
- 現地名
- ドデシルアミン
- 英語名
- Dodecylamine
- 分子式
- C12H27N
- 分子量
- 185.35
名称と別名
名称をさらに表示
データベース識別子
- CAS
124-22-1、68155-27-1- PubChem CID
- 13583
- DTXSID
DTXSID3021984- ChEMBL
CHEMBL109904- ChEBI
CHEBI:193593- UNII
- YWY9OD6A2K
- EC Number
- 204-690-6
- Nikkaji
- J43.184B
物性
構造計算による物性
- XLogP
- 5.3
- 極性表面積
- 26 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 10
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 81.2
実験および物理化学的性質
Cosmetics
Cosmetic ingredients (Lauramine) -> CIR (Cosmetic Ingredient Review)
Personal care product
Antistatic
Density
0.8015 g/cu cm @ 20 °C/4 °C
0.81 g/cm³
Solubility
Miscible in ethanol, ethyl ether, and benzene.
In water, 0.078 g/l at 25 °C and pH 11.8.
Solubility in water: poor
Boiling Point
259 °C
259 °C
物理化学的性質
- 融点
- 27 · 27-29 °C(lit.)
- 沸点
- 247 · 247-249 °C(lit.)
- 比重(密度)
- 0.806 g/mL · 0.806 g/mL at 25 °C(lit.)
- 蒸気圧
- 64 mm · 64 mm Hg ( 170 °C)
- 屈折率
- 1.4421 · 1.4421
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 25 ℃で可溶3.5g/L · 水:25℃で可溶3.5g/L
- 酸解離定数(Pka)
- 10.63 · 10.63(at 25℃)
- 外見
- 結晶性低融点固体
- 比重
- 0.806 · 0.806
- 色
- 白い
- 水溶解度
- 78 mg/L · 78mg/L(25℃)
- BRN
- 1633576 · 1633576
- Henry's Law Constant
- 3.7 · 3.7×10-2 mol/(m3Pa) at 25℃, HSDB (2015)
- 安定性
- 安定。可燃性。酸塩化物、酸、酸無水物、酸化剤とは混和しません。
- 化粧品成分の機能
- 帯電防止
- InChI
- 1S/C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-13H2,1H3
- InChIKey
- JRBPAEWTRLWTQC-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCN
- LogP
- 4.33 at · 4.33 at 25℃
- CAS データベース
- 124 · 124-22-1(CAS DataBase Reference)
- NISTの化学物質情報
- 1 · 1-Dodecanamine(124-22-1)
- EPAの化学物質情報
- Dodecylamine (124-22-1)
化学的性質
化学的特性Dodecylamine is a solid white odor ammoniacal melting at a temperature between 27 and 31°C.In liquid state, dodecylamine has a yellow color and an oily appearance, dodecylamin's boiling point being 259° C.
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 3.7% (32 of 855) of reports.
Danger
H290 (52.4%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P331, P363, P390, P391, P403+P233, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 855 reports by companies from 26 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
危険有害性情報
Regulatory Information
Chemical: 1-Dodecanamine
1-Dodecanamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Dodecanamine are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 31-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/15915
Dodecylamine: Does not have an individual approval but may be used under an appropriate group standard
Fire Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
Hazards Summary
A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause pulmonary edema; [ICSC] Severe skin irritation and necrosis observed in animals; Emergency treatment: Corrosives-alkaline; [HSDB] No deaths observed in rats dosed by gavage at 2000 mg/kg; Non-hydroxylated fatty nitrogen derived amines: Low acute oral and dermal toxicity in animals; [EPA ChAMPS] A severe skin and eye irritant; [RTECS]
Reactivity Profile
DODECANAMINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
DOT Hazard Classification
1-Dodecylamine
Marine pollutant
安全と保護具
Fire Fighting
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Use water spray, powder, foam, carbon dioxide.
First Aid Measures
Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer for medical attention.
Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .
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 .
Disposal Methods
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
Personal protection: chemical protection suit including self-contained breathing apparatus. Do NOT let this chemical enter the environment. Sweep spilled substance into covered sealable containers. Carefully collect remainder. Then store and dispose of according to local regulations.
毒性情報
Environmental Fate
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 9,300(SRC) determined from an estimated log Kow of 4.8(2,SRC) and a regression-derived equation(3) indicates that dodecylamine is expected to be immobile in soil(SRC). A pKa of 10.63(4) indicates dodecylamine will exist predominately in the protonated form at environmental pHs and as a result, volatilization from moist soil surfaces is not expected to be an important fate process(SRC). Dodecylamine is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 8.05X10-3 mm Hg(5). A 60% of theoretical BOD in an activated sludge inoculum over a 12 day incubation period suggests that dodecylamine may biodegrade in soil(6).
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 9,300(SRC) determined from an estimated log Kow of 4.8(2,SRC) and a regression-derived equation(3) indicates that dodecylamine is expected to adsorb to suspended solids and sediment in the water column(SRC). A pKa of 10.63(4) indicates that volatilization from water surfaces is not expected to be an important fate process since this compound will exist predominately in the protonated form at environmental pHs(SRC). According to a classification scheme(5), an estimated BCF of 2,400(3,SRC), from an estimated log Kow(2,SRC), suggests the potential for bioconcentration in aquatic organisms is very high(SRC). A 60% of theoretical BOD in an activated sludge inoculum over a 12 day incubation period, suggests that dodecylamine may biodegrade in water(6).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), dodecylamine, which has a vapor pressure of 8.05X10-3 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase dodecylamine is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 8.4 hours(SRC) from its rate constant of 4.6X10-11 cu cm/molecule-sec estimated using a structure estimation method(3).
Food Survey Values
Dodecylamine was detected in the following samples of mixed pickles, mg/kg: cucumber in aromatic vinegar, 2.7; cucumber in aromatic vinegar brine, 1.9 mg/l; pepperoni, 6.4; pepperoni brine, 0.7 mg/l; pickled onions, 3.6; pickled onions brine, 0.1 mg/l(1).
Toxicity Summary
The safety of Lauramine and Stearamine has not been documented and substantiated. The CIR Expert Panel cannot conclude whether these ingredients are safe for use in cosmetic products until the appropriate safety data have been obtained and evaluated.
The available data are insufficient to support safety
Signs and Symptoms
Burning sensation. Cough. Sore throat. Laboured breathing. Shortness of breath. Symptoms may be delayed.
Redness. Pain. Skin burns.
Redness. Pain. Severe deep burns.
Abdominal pain. Burning sensation. Shock or collapse.
Soil Adsorption/Mobility
The Koc of dodecylamine is estimated as 9,300(SRC), using an estimated log Kow of 4.8(1,SRC) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that dodecylamine is expected to be immobile in soil. An H-Type isotherm was observed for the sorption of dodecylamine to sodium montmorillonite in aqueous solution; this type of isotherm indicates that the solute is preferentially sorbed to such an extent that no measurable amount remains in solution(4).
Environmental Biodegradation
A 60% of theoretical BOD (30 ppm dodecylamine) in an activated sludge inoculum over a 12 day incubation period, suggests that dodecylamine may biodegrade in the environment(1). No biodegradation was observed for 100 ppm dodecylamine in an activated sludge over a 12 day incubation period(1).
Environmental Bioconcentration
An estimated BCF of 2,400 was calculated for dodecylamine(SRC), using an estimated log Kow of 4.8(1,SRC) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is very high.
Volatilization from Water/Soil
The Henry's Law constant for dodecylamine is estimated as 2.7X10-4 atm-cu m/mole(SRC), using a fragment constant estimation method(1). This Henry's Law constant indicates that the neutral form of dodecylamine is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as approximately 14 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 110 days(SRC). A pKa of 10.63(3) indicates dodecylamine will exist predominately in the protonated form at environmental pHs and therefore volatilization from water and moist soil surfaces is not expected to be an important fate process(SRC). Dodecylamine is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 8.05X10-3 mm Hg(4).
安全データ
- F
- 10-34
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- JR6475000
- ridadr
- UN 3259 8/PG 3
- 毒性
- LD50 orally in Rabbit: 1020 mg/kg
- hs_code
- 29211980
- risk_code
- 22-34-50/53-20/21/22-65-48/22-37-35
- 化審法
- (2)-133 優先評価化学物質
- hazard_code
- C,N
- safety_code
- 26-36/37/39-45-60-61-62
- hazard_class
- 8
- packing_group
- II
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Asp. Tox. 1Eye Dam. 1Skin Corr. 1BSTOT RE 2 OralSTOT SE 3
- ストレージクラス
- 8A - Combustible corrosive hazardous materials
- 有毒物質データの
- 124-22-1(Hazardous Substances Data)
化学と産業
薬理情報
Metabolism/Metabolites
MONOAMINE...& DIAMINE OXIDASE...OCCUR WIDELY...MOST CONCN IN LIVER, KIDNEY, & INTESTINAL MUCOSA. ...ASSUMED THAT THEY PLAY AN IMPORTANT ROLE IN "DETOXICATION" OF AMINES...AMMONIA FORMED IS CONVERTED TO UREA. HYDROGEN PEROXIDE IS ACTED ON BY CATALASE...ALDEHYDE FORMED /GIVES A/...CARBOXYLIC ACID. /AMINES/
MeSH Pharmacological Classification
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.
用途と製造
Uses
CIR ingredient: Lauramine
Used in cationic surfactants and to make dodecylguanidine acetate (fungicide); [HSDB] Used in dye and pigment production and as a surfactant for non-metallic mineral mining and quarrying; [EPA ChAMPS]
Metal Extraction and Refining [Category: Industry]
CHEM INT FOR THE FUNGICIDE, DODECYLGUANIDINE ACETATE; CHEM INT FOR CATIONIC SURFACTANTS
Cationic surface-active agent.
U.S. Production
2023: 100,000 - <250,000 lb
(1971) 3.1X10+8 GRAMS
Methods of Manufacturing
REACTION OF DODECANOIC ACID WITH AMMONIA TO FORM LAURONITRILE, FOLLOWED BY CATALYTIC HYDROGENATION TO FORM DODECYLAMINE
Lauric acid, broad cut/lauric acid, narrow cut + ammonia (nitrile formation/hydrogenation).
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1-Dodecanamine: ACTIVE
WASTEWATER CONTAINING 1 G UO2/L WAS TREATED WITH DODECYLAMINE ACETATE (50 MG) & 20 MG TAKASA FROTH. UO2 RECOVERY IN FROTH WAS 98%.
EVALUATED FOR INHIBITORY ACTIVITY AGAINST S MUTANS 6715, DODECYLAMINE SHOWED GOOD ACTIVITY. FURTHER IN VITRO STUDIES AGAINST OTHER PLAQUE-FORMING BACTERIA ARE NEEDED TO DETERMINE BEST CLINICAL AGENT.
応用分野
用途有機合成原料。
一般的な説明Dodecylamine is a yellow liquid with an ammonia-like odor. Insoluble in water and less dense than water. Hence floats on water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation or skin absorption. Used to make other chemicals.
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