基本情報
- 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
名称をさらに表示
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
- 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
Nitrogen Compounds -> Amines, Aliphatic
Corrosives
Density
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
Solubility
PARTLY SOL IN WATER; MISCIBLE WITH ALC, BENZENE, ACETONE
Solubility in water, g/100ml: 20
Flash Point
108 °F (USCG, 1999)
110 °F OC
42.2 °C c.c.
Boiling Point
323.6 °F at 760 mmHg (USCG, 1999)
162-165 °C
Melting Point
FP: BELOW -77 °C
-60 °C
-77 °C
Vapor Pressure
3.0 [mmHg]
Vapor pressure, kPa at 25 °C: 0.4
3.6 [mm Hg] @20 °C
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
安全と法規制
GHS分類
GHS Classification
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
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.)
Fire Hazards
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.
Health Hazards
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
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
2264 132
2264 132
Reactivity Profile
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.
安全と保護具
Fire Fighting
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
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
· 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
Get medical attention.
General First Aid:
General First Aid:
Exposure Control and Personal Protection
· Wear positive pressure self-contained breathing apparatus (SCBA).
· Wear positive pressure self-contained breathing apparatus (SCBA).
Spillage Disposal
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
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Immediate precautionary measure
Immediate precautionary measure
毒性情報
Signs and Symptoms
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.
EPA Provisional Peer-Reviewed Toxicity Values
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)
化学と産業
用途と製造
Uses
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
(1979) No Data
(1981) No Data
U.S. Imports
(1979) 2.33X10+7 GRAMS (PRINCPL CUSTMS DISTS)
(1981) 2.49X10+8 GRAMS (PRINCPL CUSTMS DISTS)
U.S. Production
2023: 2,500,000 - <4,000,000 lb
(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS
(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS
General Manufacturing Information
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
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
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
下流製品
サプライヤー50 社
補足説明
定義ChEBI: A tertiary amine consisting of cyclohexane having a dimethylamino substituent.
関連反応
関連ノート
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