Trihexylamine (HCID 66022)

이름 및 식별자

우선 이름: Trihexylamine
IUPAC: N,N-dihexylhexan-1-amine
현지명: 트라이-엔-헥실아민
영어명: TRI-N-HEXYLAMINE
분자식: C18H39N
분자량: 269.51

이름 및 동의어

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

이름 더 보기

트라이-엔-헥실아민N-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 7.3
극성 표면적: 3.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 15
무거운 원자 수: 19
형식 전하: 0
복잡도: 127

실험 및 물리화학적 성질

Physical DescriptionLiquid; [Alfa Aesar MSDS]

Kovats Retention Index · 2건

1740；1730

1741

물리화학적 성질

녹는점: -75 °C · <-75°C
끓는 점: 150 · 150-159 °C/12 mmHg (lit.) 263-265 °C (lit.)
밀도: 0.794 g/mL · 0.794 g/mL at 25 °C (lit.)
증기 밀도: 9.3 · 9.3 (vs air)
증기압: 1 mm · <1 mm Hg ( 20 °C)
굴절률: 20 · n20/D 1.442(lit.)
인화점: 230 °F · >230 °F
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 10.46 · 10.46±0.50(Predicted)
물리적 상태: 액체
색상: 무색 내지 거의 무색
수용성: 물과 약간 섞임.
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
EPA: 1 · 1-Hexanamine, N,N-dihexyl- (102-86-3)

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 2건

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%)

규제 정보

Regulatory Information · 2건

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

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3082 9/PG 3
HS 번호: 29211990
risk_code: 22-36/37/38-51/53
hazard_code: Xn,N
safety_code: 26-36-61
포장분류: III
위험 등급: 9
기존화학 물질: KE-34275
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

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

응용 분야 · 1건

용도Tri-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.