Basic information
- Standard SMILES
C#CCCCCCCCCC- InChIKey
YVSFLVNWJIEJRV-UHFFFAOYSA-N- Molecular formula
- C11H20
- Average molar mass
- 152.28 g/mol
- Monoisotopic mass
- 152.15650064
Overview
1-undecyne is a terminal acetylenic compound that is undecane carrying a triple bond at position 1. It has a role as a metabolite. It is an alkyne and a terminal acetylenic compound.
Names & identifiers
- Preferred name
- 1-Undecyne
- IUPAC
- undec-1-yne
- English name
- 1-Undecyne
- Molecular formula
- C11H20
- Molecular weight
- 152.28
Names & synonyms
1-Undecyne2243-98-3undecyne102681-76-5UNII-Y07U3Q24USNSC 87633Y07U3Q24USEINECS 218-825-1NSC-876331-C11H20DTXSID8062288CHEBI:87545
Show more names
1-Hendecyne1-UNDECYNE 97%Undecane-1-ynen-Nonylacetylene
RefChem:77322DTXCID9036694218-825-1YVSFLVNWJIEJRV-UHFFFAOYSA-Nundec-1-yneMFCD00015063RutylideneNSC 87633;
Database identifiers
- CAS
102681-76-5、2243-98-3- PubChem CID
- 75249
- DTXSID
DTXSID8062288- ChEBI
CHEBI:87545- UNII
- Y07U3Q24US
- EC Number
- 218-825-1
- Nikkaji
- J125.121J
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 104
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -25 °C · -25°C
- Boiling point
- 73 °C · 73°C 10mm
- Density
- 0 · 0,773 g/cm3
- refractive index
- 1.43 · 1.4300
- Flash point
- 65 °C · 65°C
- storage temp.
- Refrigerator
- solubility
- Chloroform, Methanol (Sparingly)
- form
- Oil
- color
- Colourless
- Water Solubility
- Miscible with acetone, ether, ethanol and benzene. Slightly miscible with water.
- BRN
- 1740043 · 1740043
- Henry's Law Constant
- 5.9 · 5.9×10-5 mol/(m3Pa) at 25℃, Yaws (2003)
- InChI
- 1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h1H,4-11H2,2H3
- InChIKey
- YVSFLVNWJIEJRV-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCC#C
- CAS DataBase Reference
- 2243 · 2243-98-3(CAS DataBase Reference)
- FDA UNII
- 7 U3Q24US · Y07U3Q24US
- EPA Substance Registry System
- 1 · 1-Undecyne (2243-98-3)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 227 · H227
- Precautionary statements
- 210 e-P280a-P370+P378a-P403+P235-P501a · P210e-P280a-P370+P378a-P403+P235-P501a
- Hazard Codes
- Xi
- Risk Statements
- 10 · 10-53-36
- Safety Statements
- 24 · 24/25-26
- RIDADR
- 3295 · 3295
- WGK Germany
- 3 · WGK 3
- TSCA
- TSCA listed
- HS Code
- 2901.29 · 2901.29.1050
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 Eye · Aquatic Chronic 4Eye Irrit. 2
Safety & regulation
GHS classification
GHS Classification
Warning
H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2A (97.6%)
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- ridadr
- 3295
- hs_code
- 2901.29.1050
- risk_code
- 10-53-36
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- hazard_code
- Xi
- safety_code
- 24/25-26
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227
- Hazard Classifications
- Aquatic Chronic 4Eye Irrit. 2
- Precautionary statements
- P210e-P280a-P370+P378a-P403+P235-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Undecyne: ACTIVE
Applications
Uses1-Undecyne is a reagent used in organic chemical synthesis. Used in the synthesis of antimalarial and antitrypanosomal agents.
Upstream & downstream products
Downstream products
Suppliers43 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
ZHEJIANG JIUZHOU CHEM CO., LTD+86-0576225566889 +86-13454675544 · [email protected]；[email protected]；[email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
盘锦研峰科技有限公司400-106-2016 17800804092 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海鑫矽新材料有限公司13585834793 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [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]
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]
上海易恩化学技术有限公司400-400-1332688 18019345275 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
大连锐盈科技有限公司0411-86907150 15940963210 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Changzhou Ansciep Chemical Co., Ltd.+86 519 86305871 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
山东天铭生物科技发展有限责任公司400-9019001 400-901-9001
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
河北贞田食品添加剂有限公司0551-77777777-5 13333333333
郑州研德生物科技有限公司13298105281 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
上海科醚化学科技有限公司021-58690851 15690882017 · [email protected]
Additional notes
DefinitionChEBI: A terminal acetylenic compound that is undecane carrying a triple bond at position1.
Related reactions
68 records
Linked notes
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