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1-Docosene

HCID 74138
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
131459-42-2
Standard SMILES
C=CCCCCCCCCCCCCCCCCCCCC
InChIKey
SPURMHFLEKVAAS-UHFFFAOYSA-N
Molecular formula
C22H44
Average molar mass
308.6 g/mol
Monoisotopic mass
308.3443014

Overview

1-docosene is an alkene that is docosane with an unsaturation at position 1. Metabolite observed in cancer metabolism. It has a role as a human metabolite.

Names & identifiers

Preferred name
1-Docosene
IUPAC
docos-1-ene
English name
Alkenes, C24-54-branched and linear .alpha.-
Molecular weight
0

Names & synonyms

1-Docosene1599-67-3UNII-AAM97MY7YBAAM97MY7YBNSC 78486EINECS 216-490-6NSC-78486AI3-36497DTXSID5029219CHEBI:84220EC 216-490-6RefChem:25804
Show more names
Alkenes, C24-54-branched and linear .alpha.-
DTXCID209219216-490-6docos-1-eneDocoseneMFCD0002708529730-67-41-Docosene; >99%SCHEMBL339474

Database identifiers

CAS
131459-42-2、1599-67-3、29730-67-4
PubChem CID
74138
DTXSID
DTXSID5029219
ChEBI
CHEBI:84220
UNII
AAM97MY7YB
EC Number
216-490-6
Nikkaji
J104.204A

Properties

Computed structural properties

XLogP
12.2
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
19
Heavy atoms
22
Formal charge
0
Complexity
194

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
Physical DescriptionLiquid

Physicochemical properties

EPA Substance Registry System
24 · Alkenes, C24-54-branched and linear .alpha.- (131459-42-2)
Hazard statements
413 · H413
TSCA
TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H304 (60%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

P261, P264, P264+P265, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 6 items

Chemical: 1-Docosene

Docosene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Docosene 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-Docosene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Docosene 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.

REACH registered substance: Docos-1-ene (EC: 216-490-6)

1-Docosene: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAsp. Tox. 1 (60%)

Safety data

tsca
TSCA listed
Hazard statements
H413

Chemistry & industry

Uses & manufacturing

U.S. Production · 2 items

2023: <50,000 lb

2023: 8,500,000 - <25,000,000 lb

Consumer UsesLubricating agent
Industry UsesLubricating agent
General Manufacturing Information · 3 items

Petrochemical Manufacturing

1-Docosene: ACTIVE

Docosene: ACTIVE

Suppliers58 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]

Related reactions

3 records
New reaction record
HRID 806766 reaction equation
HRID 806766As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1834754 reaction equation
HRID 1834754As productuspto-grants-1978_01
HRID 2290969 reaction equation
HRID 2290969As reactantuspto-grants-1986_10

Compound notes

Loading…

On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
Dalian Ruiying Technology Co., Ltd.+86-0411-86907150 +86-15940963210 · [email protected]
上海比阳实业有限公司+86-15021878111 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
BOC Sciences[email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
山东小野化学股份有限公司0539-6362799 20)
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
上海炎泽化工有限公司19901447308 19962611955 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
南京宁凡医药科技有限公司17368696818
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
大连锐盈科技有限公司0411-86907150 15940963210 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318584237 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]