基本情報
- CAS
26952-14-7- 標準SMILES
C=CCCCCCCCCCCCCCC- InChIKey
GQEZCXVZFLOKMC-UHFFFAOYSA-N- 分子式
- C16H32
- 平均分子量
- 224.42 g/mol
- 単同位体質量
- 224.25040102
概要
1-hexadecene is an unbranched sixteen-carbon alkene with one double bond between C-1 and C-2.
名称と識別子
- 優先名称
- 1-Hexadecene
- IUPAC
- hexadec-1-ene
- 英語名
- 1-Hexadecene
- 分子式
- C16H32
- 分子量
- 224.43
名称と別名
1-Hexadecene629-73-2Hexadec-1-eneCetene1-CeteneHexadecylene-1Cetylene1-n-Hexadecenealpha-Hexadecylenealpha-HexadeceneN-HEXADEC-1-ENEGulftene 16
名称をさらに表示
Dialene 16DTXSID102726997T015M2UXNSC-60602DTXCID507269CHEBI:77507RefChem:6719211-105-8
データベース識別子
- 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
物性
構造計算による物性
- XLogP
- 8.9
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 13
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 126
実験および物理化学的性質
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)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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%)
安全と保護具
Protective Action Criteria (PAC)
化学と産業
薬理情報
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.
用途と製造
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
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