Basic information
- CAS
629-89-0- Standard SMILES
C#CCCCCCCCCCCCCCCCC- InChIKey
IYDNQWWOZQLMRH-UHFFFAOYSA-N- Molecular formula
- C18H34
- Average molar mass
- 250.5 g/mol
- Monoisotopic mass
- 250.26605109
Overview
octadecyne has been reported in Lonicera japonica with data available.
Names & identifiers
- Preferred name
- 1-Octadecyne
- IUPAC
- octadec-1-yne
- English name
- 1-OCTADECYNE
- Molecular formula
- C18H34
- Molecular weight
- 250.46
Names & synonyms
1-Octadecyneoctadec-1-yneOctadecyne8U6AS2VE7SUNII-8U6AS2VE7SEINECS 211-114-7DTXSID90212079RefChem:76756DTXCID40134570IYDNQWWOZQLMRH-UHFFFAOYSA-N629-89-0Cetylacetylene
Show more names
n-Octadecyne1-Octadecyne>1-OCTADECYNE 90%1-Octadecyne, 97+%1-OCTADECYNE, 90+%
HexadecylacetyleneMFCD00015088QSPL 036STK050156BS-53270CS-0186358O0128D91808
Database identifiers
- CAS
629-89-0- PubChem CID
- 69425
- DTXSID
DTXSID90212079- UNII
- 8U6AS2VE7S
- EC Number
- 211-114-7
- Nikkaji
- J96.515D
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 14
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 183
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Unsaturated
SpringerMaterials PropertiesBoiling point
Physical DescriptionWhite solid or colorless liquid; mp = 22.5 deg C; [GFS Chemicals MSDS] Melting point = 27 deg C; [ChemSampCo MSDS]
Physicochemical properties
- Melting point
- 22 · 22,5°C
- Boiling point
- 180 °C · 180°C 15mm
- Density
- 0 · 0,803 g/cm3
- refractive index
- 1.4774 · 1.4774
- Flash point
- 25 °C · 25 °C
- form
- powder to lump to clear liquid
- color
- White or Colorless to Light yellow
- CAS DataBase Reference
- 629 · 629-89-0(CAS DataBase Reference)
- FDA UNII
- 8 U6AS2VE7S · 8U6AS2VE7S
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
Danger
H304 (50%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P261, P264, P264+P265, P271, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryA skin and eye irritant; Vapor or mist causes eye, mucous membrane, and upper respiratory tract irritation; [ChemSampCo MSDS] See 4-Nonyne and Methylacetylene.
Hazard Classes and CategoriesAsp. Tox. 1 (50%)
Safety data
- hs_code
- 2901.29.1050
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- safety_code
- 26-36/37/39
- Hazard statements
- H304
Chemistry & industry
Suppliers45 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]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [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]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
河南英田生物科技有限公司0370-4053511; 18339993703 · [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]
Dalian Ruiying Technology Co., Ltd.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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