トリヘキシルアミン [イオン対試薬]

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 · TRIHEXYLAMINE · NSC 409786 · N-TRIHEXYLAMINE · TRI-N-HEXYLAMINE

https://huagongshe.com/ja/chemical/66022

識別子と物理属性

CAS No.	102-86-3
分子式	C18H39N
平均分子量	269.5 g/mol
単同位体質量	269.30825025 g/mol
SMILES	CCCCCCN(CCCCCC)CCCCCC
InChIKey	DIAIBWNEUYXDNL-UHFFFAOYSA-N
PubChem CID	66022
EC No.	203-062-9
現地名	トリヘキシルアミン [イオン対試薬]

化学・物理的性質

XLogP	7.3
極性表面積	3.2
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
Physical Description	Liquid[Alfa Aesar MSDS]
Kovats Retention Index	174017301741
融点	<-75°C
沸点	150-159 °C/12 mmHg (lit.) 263-265 °C (lit.)
密度	0.794 g/mL at 25 °C (lit.)
蒸気密度	9.3 (vs air)
蒸気圧	<1 mm Hg ( 20 °C)
屈折率	n20/D 1.442(lit.)
引火点	>230 °F
溶解度	Chloroform (Slightly), Methanol (Slightly)水とわずかに混和する。
pKa（酸解離定数）	10.46±0.50(Predicted)
外観・状態	Liquid
色	Colorless to Almost colorless
BRN	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（分配係数）	4.47 at 25℃ and pH8-9
CAS データベース	102-86-3(CAS DataBase Reference)
EPAの化学物質情報	1-Hexanamine, N,N-dihexyl- (102-86-3)

安全性と法規制

GHS 分類	WarningH302 (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 exposureRespiratory 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.
規制情報	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
有害性の概要	An irritant[Alfa Aesar MSDS]
Hazard Classes and Categories	Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Skin Sens. 1B (70.1%)Eye Irrit. 2 (99.4%)STOT SE 3 (26%)

用途

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.