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N,N-ジメチルシクロヘキシルアミン

N,N-Dimethylcyclohexylamine

HCID 7415
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
98-94-2
標準SMILES
CN(C)C1CCCCC1
InChIKey
SVYKKECYCPFKGB-UHFFFAOYSA-N
分子式
C8H17N
平均分子量
127.23 g/mol
単同位体質量
127.13609954

概要

Dimethylcyclohexylamine is a colorless liquid with a musky ammonia odor. Less dense than water. (USCG, 1999)

名称と識別子

優先名称
N,N-Dimethylcyclohexylamine
IUPAC
N,N-dimethylcyclohexanamine
現地名
N,N-ジメチルシクロヘキシルアミン
英語名
N,N-Dimethylcyclohexylamine
分子式
C8H17N
分子量
127.23

名称と別名

N,N-DIMETHYLCYCLOHEXYLAMINE98-94-2N,N-DimethylcyclohexanamineCyclohexyldimethylamineDimethylcyclohexylamineN-CyclohexyldimethylamineCyclohexanamine, N,N-dimethyl-(Dimethylamino)cyclohexaneCyclohexylamine, N,N-dimethyl-N,N-DimethylaminocyclohexaneN,N-Dimethyl-N-cyclohexylamineDTXSID9026633
名称をさらに表示
N,N-ジメチルシクロヘキシルアミンジメチルアミノシクロヘキサンN,N-ジメチルシクロヘキサンアミンN-シクロヘキシルジメチルアミンN,N-ジメチルシクロヘキサン-1-アミンシクロヘキシルジメチルアミンポリカト8ジメチルシクロヘキシルアミンＮ，ＮジメチルシクロヘキシルアミンN,N‐ジメチルシクロヘキシルアミンN,N- ジメチルシクロヘキシルアミン(5aR,11aS)-10,10-ジオクチル-5a,10,11a,12-テトラヒドロ-5,11-ジオキサテトラフェン-1,3,7,8-テトラオール(6aS)-5,5-ジオクチル-5,6aα,7,12aβ-テトラヒドロ[2]ベンゾピラノ[4,3-b][1]ベンゾピラン-2,3,8,10-テトラオールDMCHAPC8Polycat 8N,N-dimethyl-CyclohexanamineCyclohexanamine,N,N-dimethyl-
N1H19E7HTANSC-163904DTXCID906633CHEBI:59022RefChem:161290202-715-5DimethylaminocyclohexaneNSC 163904

データベース識別子

CAS
98-94-2
PubChem CID
7415
DTXSID
DTXSID9026633
ChEMBL
CHEMBL3186662
ChEBI
CHEBI:59022
UNII
N1H19E7HTA
EC Number
202-715-5
Nikkaji
J4.960C

物性

構造計算による物性補完中

XLogP
1.9
極性表面積
3.2 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
1
重原子数
9
形式電荷
0
複雑度
72.6

実験および物理化学的性質

Chemical Classes · 2 件

Nitrogen Compounds -> Amines, Aliphatic

Corrosives

SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP2.01
Density · 4 件

0.849 at 68 °F (USCG, 1999) - Less dense than water; will float

0.8490 @ 20 °C/20 °C

Relative density (water = 1): 0.85

0.8490 @ 20°C

Color/FormWATER-WHITE LIQ
Solubility · 2 件

PARTLY SOL IN WATER; MISCIBLE WITH ALC, BENZENE, ACETONE

Solubility in water, g/100ml: 20

Flash Point · 3 件

108 °F (USCG, 1999)

110 °F OC

42.2 °C c.c.

Boiling Point · 2 件

323.6 °F at 760 mmHg (USCG, 1999)

162-165 °C

Melting Point · 3 件

FP: BELOW -77 °C

-60 °C

-77 °C

Vapor Density

安全と法規制

安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 14.6% (68 of 466) of reports.

Danger

H226 (85.2%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P361+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 466 reports by companies from 27 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 · 5 件

Chemical: Cyclohexanamine, N,N-dimethyl-

Cyclohexanamine, N,N-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanamine, N,N-dimethyl- 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: 28-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13521

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

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelCorrosive Flammable Liquid
Fire Hazards · 4 件

Behavior in Fire: Dangerous when exposed to heat or flame. Can react vigorously with oxidizing materials. (USCG, 1999)

· Flammable/combustible material.

· Flammable/combustible material.

Flammable. Gives off irritating or toxic fumes (or gases) in a fire. Above 42.2 °C explosive vapour/air mixtures may be formed.

化学と産業

用途と製造

Uses · 6 件

Used as a catalyst for polyurethane foams and an intermediate for rubber accelerators and dyes; Also used in the treatment of textiles; [HSDB]

Textiles (Fiber & Fabric Manufacturing) [Category: Industry]

CATALYST FOR POLYURETHANE FOAMS; INTERMEDIATE FOR RUBBER ACCELERATORS; TREATMENT OF TEXTILES

CHEMICAL INTERMEDIATE, EG, FOR RUBBER ACCELERATORS & DYES

CATALYST FOR POLYURETHANE FOAMS (POSSIBLE USE)

COMPONENT OF TEXTILE TREATMENTS (POSSIBLE USE)

U.S. Exports · 2 件

(1979) No Data

(1981) No Data

U.S. Imports · 2 件

(1979) 2.33X10+7 GRAMS (PRINCPL CUSTMS DISTS)

(1981) 2.49X10+8 GRAMS (PRINCPL CUSTMS DISTS)

U.S. Production · 3 件

2023: 2,500,000 - <4,000,000 lb

(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS

(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS

Consumer UsesCatalyst
Industry UsesChemical reaction regulator
Methods of ManufacturingREACTION OF CYCLOHEXYLAMINE WITH FORMALDEHYDE & HYDROGEN; REACTION OF CYCLOHEXYLAMINE WITH METHYL CHLORIDE
General Manufacturing Information · 3 件

Plastics Product Manufacturing

Cyclohexanamine, N,N-dimethyl-: ACTIVE

N,N-DIMETHYLCYCLOHEXYLAMINE WAS BUBBLED WITH 0.2-0.3 L/MIN N CONTAINING 2020 PPM HYDROGEN SULFIDE FOR 15 MIN; THE HYDROGEN SULFIDE REMOVAL WAS 100%.

応用分野 · 4 件

用途硬質ウレタン触媒、加硫促進剤、繊維処理剤、有機合成中間体

関連反応

47 件
反応記録を作成
HRID 19954 の反応式
HRID 19954溶媒としてuspto-grants-2010_06
HRID 134394 の反応式
HRID 134394反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 170960 の反応式
HRID 170960反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 203867 の反応式
HRID 203867反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 292007 の反応式
HRID 292007反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 617670 の反応式
HRID 617670反応物としてuspto-grants-1999_09
HRID 672255 の反応式
HRID 672255反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 692310 の反応式
HRID 692310反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
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化合物ノート

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このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
その他の操作
ノートを作成反応を作成見積依頼を出す
Relative vapor density (air = 1): 4.4
Vapor Pressure · 3 件

3.0 [mmHg]

Vapor pressure, kPa at 25 °C: 0.4

3.6 [mm Hg] @20 °C

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

物理化学的性質

融点
-60 °C · -60 °C
沸点
158 · 158-159 °C (lit.)
比重(密度)
0.849 g/mL · 0.849 g/mL at 25 °C (lit.)
蒸気圧
3.6 mm · 3.6 mm Hg ( 20 °C)
屈折率
20 · n20/D 1.454(lit.)
闪点
108 °F · 108 °F
貯蔵温度
30 °C · Store below +30°C.
溶解性
10 g/L · 10g/L(20℃)
外見
液体
酸解離定数(Pka)
1 · pK1:10.72(+1) (25°C)
色
クリア
PH
12 · 12 (5g/l, H2O, 20℃)
爆発限界(explosive limit)
3.6 · 3.6-19%(V)
水溶解度
10 G/L · 10 G/L (20℃)
凝固点
-77 ℃ · <-77℃
BRN
1919922 · 1919922
Henry's Law Constant
4.2 · 4.2×10-1 mol/(m3Pa) at 25℃, Altschuh et al. (1999)
Dielectric constant
2.86 · 2.8599999999999999
InChI
1S/C8H17N/c1-9(2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
InChIKey
SVYKKECYCPFKGB-UHFFFAOYSA-N
SMILES
CN(C)C1CCCCC1
LogP
2.31 at · 2.31 at 25℃
CAS データベース
98 · 98-94-2(CAS DataBase Reference)
NISTの化学物質情報
Cyclohexanamine, N,N-dimethyl-(98-94-2)
EPAの化学物質情報
N,N-Dimethylcyclohexylamine (98-94-2)

化学的性質

化学的特性CLEAR LIQUID

Health Hazards · 3 件

Inhalation of high concentration of vapor will will produce irritation of the respiratory tract and lungs. Inhalation of large quantities of vapor may be fatal. (USCG, 1999)

· May cause toxic effects if inhaled or ingested.

· May cause toxic effects if inhaled or ingested.

Hazards Summary · 1 件

A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause pulmonary edema; Can be absorbed through skin; [ICSC] Irritating or corrosive to animal skin; Irritating to rabbit eyes; Not sensitizing to guinea pig skin using skin painting test; [IUCLID] Causes muscle contraction or spasticity in lethal-dose studies of mice (inhalation and oral routes); [RTECS] Causes burns; Toxic if inhaled; [Alfa Aesar MSDS]

DOT ID and Guide · 2 件

2264 132

2264 132

Reactive GroupAmines, Phosphines, and Pyridines
UN ClassificationUN Hazard Class: 8; UN Subsidiary Risks: 3; UN Pack Group: II
Reactivity AlertsHighly Flammable
Reactivity Profile · 1 件

DIMETHYLCYCLOHEXYLAMINE 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.

Chemical DangersDecomposes on burning. This produces toxic fumes including nitrogen oxides. The substance is a medium strong base.
Packaging and LabellingDo not transport with food and feedstuffs.

安全と保護具

Fire Fighting · 2 件

Fire Extinguishing Agents: Carbon dioxide, dry chemical powder, polymer or alcohol foam. (USCG, 1999)

Use water spray, powder, alcohol-resistant foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4 件

Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer for medical attention.

First rinse with plenty of water for at least 15 minutes, then remove contaminated clothes and rinse again. 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. Give one or two glasses of water to drink. Do NOT induce vomiting. Refer for medical attention .

Accidental Release Measures · 4 件

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 3 件

Get medical attention.

General First Aid:

General First Aid:

Safe StorageFireproof. Separated from strong acids and food and feedstuffs.
Exposure Control and Personal Protection · 2 件

· Wear positive pressure self-contained breathing apparatus (SCBA).

· Wear positive pressure self-contained breathing apparatus (SCBA).

Nonfire Spill ResponseExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Spillage Disposal · 1 件

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking and spilled liquid in sealable containers as far as possible. Carefully collect remainder. Then store and dispose of according to local regulations. Do NOT let this chemical enter the environment.

Isolation and Evacuation · 3 件

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

Immediate precautionary measure

Immediate precautionary measure

Eye PreventionWear face shield or eye protection in combination with breathing protection.
Fire PreventionNO open flames, NO sparks and NO smoking. Above 42.2 °C use a closed system, ventilation and explosion-proof electrical equipment.
Inhalation RiskNo indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.

毒性情報

Adverse EffectsDermatotoxin - Skin burns.
Exposure RoutesThe substance can be absorbed into the body by inhalation, through the skin and by ingestion.
Signs and Symptoms · 4 件

Sore throat. Burning sensation. Cough. Laboured breathing. Shortness of breath. Symptoms may be delayed.

Redness. Pain. Skin burns.

Redness. Pain. Severe deep burns.

Burning sensation. Abdominal pain. Shock or collapse.

ICSC Environmental DataThe substance is harmful to aquatic organisms.
Toxicity DataLC50 (rat) = 1,889 mg/m3/2h
EPA Provisional Peer-Reviewed Toxicity Values · 3 件

n,n-Dimethylcyclohexylamine

PDF Document

2011

安全データ

wgk
1
tsca
TSCA listed
rtecs
GX1198000
ridadr
UN 2264
毒性
LD50 orally in Rabbit: 272 mg/kg LD50 dermal Rat > 400 mg/kg
hs_code
29213010
risk_code
10-20/21/22-34-50/53-23/24-22
化審法
(3)-2274
安衛法
変異原性物質
消防法
危-4-2-III
hazard_code
C,N,T
safety_code
26-28-36/37/39-45-61-28A-16
hazard_class
8
packing_group
II
自然発火温度
419 °F
Hazard Classifications
Acute Tox. 2 InhalationAcute Tox. 3 DermalAcute Tox. 4 OralAquatic Acute 1Flam. Liq. 3Skin Corr. 1B
ストレージクラス
3 - Flammable liquids
有毒物質データの
98-94-2(Hazardous Substances Data)

用途界面活性剤原料、顔料分散剤

使用Dimethylcyclohexylamine is used in polyurethane plastics and textiles and as a chemical intermediate.

一般的な説明Colorless liquid with a musky ammonia odor. Less dense than water.

調製方法

N,N-Dimethylcyclohexylamine is manufactured either by the reaction of methyl chloride or formaldehyde and hydrogen with cyclohexylamine (HSDB 1989).

上流・下流製品情報

上流原料

シクロヘキサノンジメチルアミン

下流製品

N-メチルシクロヘキシルアミンN-メチル-N-ニトロソシクロヘキシルアミン

補足説明

定義ChEBI: A tertiary amine consisting of cyclohexane having a dimethylamino substituent.