Trihexylamine (HCID 66022)

名称と識別子

優先名称: Trihexylamine
IUPAC: N,N-dihexylhexan-1-amine
現地名: トリヘキシルアミン [イオン対試薬]
英語名: TRI-N-HEXYLAMINE
分子式: C18H39N
分子量: 269.51

名称と別名

TrihexylamineTri-n-hexylamine1-Hexanamine, N,N-dihexyl-N,N-dihexylhexan-1-amineN,N-Dihexyl-1-hexanamineAMINE,TRIHEXYLUNII-A9392WA249EINECS 203-062-9A9392WA249NSC 409786NSC-409786AI3-16575

名称をさらに表示

トリヘキシルアミントリヘキシルアミン [イオン対試薬]1,1',1''-ニトリロトリヘキサントリ-N-ヘキシルアミンN-TRIHEXYLAMINETrihexylamine,98%TrihexylaMine 96%Trihexylamine >Tri(hex-1-yl)amineTri-n-hexylamineHPLCn,n-dihexyl-1-hexanamin

DTXSID80592631Hexanamine, N,NdihexylRefChem:191671DTXCID1032692203-062-9DIAIBWNEUYXDNL-UHFFFAOYSA-NInChI=1/C18H39N/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H102-86-3

データベース識別子

CAS: 102-86-3、68038-01-7
PubChem CID: 66022
UNII: A9392WA249
EC Number: 203-062-9
Nikkaji: J121.782H

物性

構造計算による物性

XLogP: 7.3
極性表面積: 3.2 Å²
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: 15
重原子数: 19
形式電荷: 0
複雑度: 127

実験および物理化学的性質

Physical DescriptionLiquid; [Alfa Aesar MSDS]

Kovats Retention Index · 2 件

1740；1730

1741

物理化学的性質

融点: -75 °C · <-75°C
沸点: 150 · 150-159 °C/12 mmHg (lit.) 263-265 °C (lit.)
比重(密度): 0.794 g/mL · 0.794 g/mL at 25 °C (lit.)
蒸気密度: 9.3 · 9.3 (vs air)
蒸気圧: 1 mm · <1 mm Hg ( 20 °C)
屈折率: 20 · n20/D 1.442(lit.)
闪点: 230 °F · >230 °F
溶解性: Chloroform (Slightly), Methanol (Slightly)
酸解離定数(Pka): 10.46 · 10.46±0.50(Predicted)
外見: Liquid
色: Colorless to Almost colorless
水溶解度: 水とわずかに混和する。
BRN: 1755828 · 1755828
InChI: 1S/C18H39N/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3
InChIKey: DIAIBWNEUYXDNL-UHFFFAOYSA-N
SMILES: CCCCCCN(CCCCCC)CCCCCC
LogP: 4.47 at · 4.47 at 25℃ and pH8-9
CAS データベース: 102 · 102-86-3(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1-Hexanamine, N,N-dihexyl- (102-86-3)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (70.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (99.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (26%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (70.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (70.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]；H411 (29.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 154 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 2 件

1-Hexanamine, N,N-dihexyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Hexanamine, N,N-dihexyl- 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: 25-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25871

Hazards SummaryAn irritant; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1B (70.1%)；Eye Irrit. 2 (99.4%)；STOT SE 3 (26%)；Aquatic Acute 1 (70.1%)；Aquatic Chronic 1 (70.1%)；Aquatic Chronic 2 (29.9%)

法規制情報

Regulatory Information · 2 件

1-Hexanamine, N,N-dihexyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Hexanamine, N,N-dihexyl- 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: 25-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25871

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 3082 9/PG 3
hs_code: 29211990
risk_code: 22-36/37/38-51/53
消防法: 危-4-3-III
hazard_code: Xn,N
safety_code: 26-36-61
hazard_class: 9
packing_group: III
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

U.S. Production2023: <50,000 lb；2022: <50,000 lb；2021: 50,000 - <250,000 lb；2020: 50,000 - <250,000 lb

General Manufacturing Information1-Hexanamine, N,N-dihexyl-: ACTIVE

応用分野 · 1 件

使用Tri-n-hexylamine is used as an extractant during isolation and purification of succinic acid from an escherichia coli fermentation broth in pharmaceutical industry. It is also used as an internal standard in screening of human hair specimens for designer drugs by ion mobility spectrometry. Further, it is involved in the synthesis of zinc oxide nanorods. In addition to this, it is used in the preparation of infrared luminescence nanohybrid films.