기본 정보
- CAS
26952-14-7- 표준 SMILES
C=CCCCCCCCCCCCCCC- InChIKey
GQEZCXVZFLOKMC-UHFFFAOYSA-N- 분자식
- C16H32
- 평균 분자량
- 224.42 g/mol
- 단동위원소 질량
- 224.25040102
개요
1-hexadecene is an unbranched sixteen-carbon alkene with one double bond between C-1 and C-2.
이름 및 식별자
- 우선 이름
- 1-Hexadecene
- IUPAC
- hexadec-1-ene
- 영어명
- 1-Hexadecene
- 분자식
- C16H32
- 분자량
- 224.43
이름 및 동의어
1-Hexadecene629-73-2Hexadec-1-eneCetene1-CeteneHexadecylene-1Cetylene1-n-Hexadecenealpha-Hexadecylenealpha-HexadeceneN-HEXADEC-1-ENEGulftene 16
이름 더 보기
Dialene 16DTXSID102726997T015M2UXNSC-60602DTXCID507269CHEBI:77507RefChem:6719211-105-8
데이터베이스 식별자
- CAS
26952-14-7、629-73-2- PubChem CID
- 12395
- DTXSID
DTXSID1027269- ChEMBL
CHEMBL3182381- ChEBI
CHEBI:77507- UNII
- 97T015M2UX
- EC Number
- 211-105-8、248-131-4
- Nikkaji
- J43.546E
물성
구조 계산 물성
- XLogP
- 8.9
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 126
실험 및 물리화학적 성질
Chemical Classes
Other Classes -> Aliphatics, Unsaturated
Other Classes -> Aliphatics, Unsaturated
SpringerMaterials PropertiesBoiling point
Density
0.7811 @ 20 °C/4 °C
0.7811 @ 20°C
Viscosity35.5 (SUS)
Color/Form
LEAF
COLORLESS LIQUID
Solubility
INSOLUBLE IN WATER; SOLUBLE IN ALCOHOL, ETHER, PETROLEUM ETHER
SOLUBLE IN PETROLEUM AND COAL-TAR SOLVENTS
Boiling Point
284.4 °C @ 760 MM HG
284.4 °C @760 [mm Hg]
Melting Point
4.1 °C
4.1 °C
Vapor Pressure0.00264 [mmHg]
Refractive IndexINDEX OF REFRACTION: 1.4412 @ 20 °C; SADTLER REFERENCE NUMBER: 4529 (IR, PRISM)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 1.5% (15 of 969) of reports.
Danger
H304 (88.9%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P273, P301+P316, P331, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 969 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 1.5% (3 of 199) of reports.
유해성 정보
Regulatory Information
Chemical: 1-Hexadecene
Hexadecene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexadecene 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)
1-Hexadecene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Hexadecene 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 28-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/1997
Status: Active Update: 11-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14268
Hazards SummarySee 1-Hexadecene.
Hazard Classes and Categories
Asp. Tox. 1 (98.5%)
Asp. Tox. 1 (88.9%)
안전 및 보호
Protective Action Criteria (PAC)
화학 및 산업
약리 정보
Metabolism/Metabolites
1,2-EPOXYHEXADECANE HAS BEEN IDENTIFIED AS A METABOLITE OF HEXADEC-1-ENE IN RABBIT-LIVER MICROSOMES BY USING 1,2-EPOXYDECANE TO INHIBIT THE EPOXIDE HYDRATASE ACTIVITY; IN ITS ABSENCE ONLY 1,2-DIHYDROXYHEXADECANE WAS DETECTED.
HEXADEC-1-ENE IS OXYGENATED TO 1,2-EPOXYHEXADECANE BY RAT-LIVER MONO-OXYGENASE IN VITRO. THE COMPOUND CAUSES SKIN CARCINOMAS IN THE MOUSE. IT IS A VERY EFFECTIVE INHIBITOR OF, AND A VERY POOR SUBSTRATE FOR EPOXIDE HYDRATASE.
용도 및 제조
Uses
Used for organic synthesis; [HSDB] Used in blend for off-shore drilling fluids; [eChemPortal: SIDSUNEP]
Petroleum Production and Refining [Category: Industry]
ORGANIC SYNTHESIS
U.S. Production
2023: 100,000,000 - <250,000,000 lb
2023: 250,000,000 - <400,000,000 lb
Consumer UsesIntermediate
Industry Uses
Diluent
Waterproofing agent
Methods of ManufacturingTREATMENT OF CETYL ALCOHOL WITH PHOSPHORUS PENTOXIDE.
Formulations/PreparationsGRADE: 95% PURITY.
General Manufacturing Information
Oil and Gas Drilling, Extraction, and Support activities
Petrochemical Manufacturing
1-Hexadecene: ACTIVE
Hexadecene: ACTIVE
공급사3 곳
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