Basic information
- CAS
765-13-9- Standard SMILES
C#CCCCCCCCCCCCCC- InChIKey
DONJGKADZJEXRJ-UHFFFAOYSA-N- Molecular formula
- C15H28
- Average molar mass
- 208.38 g/mol
- Monoisotopic mass
- 208.21910089
Names & identifiers
- Preferred name
- 1-Pentadecyne
- IUPAC
- pentadec-1-yne
- English name
- 1-PENTADECYNE
- Molecular formula
- C15H28
- Molecular weight
- 208.38
Names & synonyms
1-Pentadecyne765-13-91-PenatdecyneEINECS 212-140-1DTXSID9061097RefChem:76873DTXCID4047888DONJGKADZJEXRJ-UHFFFAOYSA-Npentadec-1-yneTridecylacetyleneMFCD000150811-Pentadecyne, 98%
Show more names
1-Pentadecyne>1-PENTADECYNE 98%1-Pentadecyne,97%TIMTEC-BB SBB0091251-Pentadecyne >=97.0%
AKOS015836226CS-0331115P0356D91951N-TridecylacetyleneFT-0608198SCHEMBL130224SCHEMBL131107
Database identifiers
- CAS
765-13-9- PubChem CID
- 69825
- DTXSID
DTXSID9061097- EC Number
- 212-140-1
- Nikkaji
- J147.990C
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 11
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 149
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 10 °C · 10°C
- Boiling point
- 130 °C · 130°C 10mm
- Density
- 0.794 g/mL · 0.794 g/mL at 20 °C (lit.)
- refractive index
- 20 · n20/D 1.442
- Flash point
- 90 °C · >90°C
- form
- clear liquid
- color
- Colorless to Almost colorless
- Water Solubility
- Not miscible in water.
- BRN
- 1751009 · 1751009
- Henry's Law Constant
- 2.2 · 2.2×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
- InChI
- 1S/C15H28/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h1H,4-15H2,2H3
- InChIKey
- DONJGKADZJEXRJ-UHFFFAOYSA-N
- SMILES
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
Hazard Classes and CategoriesAsp. Tox. 1 (50%)
Safety data
- F
- 10-23
- PPE
- Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2901.24.5000
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- safety_code
- 23-24/25
- Storage Class
- 12 - Non Combustible Liquids
- Hazard statements
- H227
- Precautionary statements
- P210e-P280a-P370+P378a-P403+P235-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Pentadecyne: ACTIVE
Applications
Uses1-Pentadecyne is used in pharmaceutical research.
Suppliers49 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]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[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]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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