Basic information
- CAS
629-74-3- Standard SMILES
C#CCCCCCCCCCCCCCC- InChIKey
UCIDYSLOTJMRAM-UHFFFAOYSA-N- Molecular formula
- C16H30
- Average molar mass
- 222.41 g/mol
- Monoisotopic mass
- 222.23475096
Overview
1-hexadecyne has been reported in Houttuynia cordata and Hamamelis virginiana with data available.
Names & identifiers
- Preferred name
- 1-Hexadecyne
- IUPAC
- hexadec-1-yne
- English name
- 1-Hexadecyne
- Molecular formula
- C16H30
- Molecular weight
- 222.41
Names & synonyms
1-HEXADECYNE629-74-3EINECS 211-106-3DTXSID2060880RefChem:75904DTXCID7043582UCIDYSLOTJMRAM-UHFFFAOYSA-Nhexadec-1-yneTetradecylacetyleneN-TETRADECYLACETYLENEMFCD00015084SCHEMBL385717
Show more names
1-Hexadecyne>1-Hexadecyne 90%1-HEXADECYNE, 90+%1-Hexadecyne, 98+%TIMTEC-BB SBB0087911-Hexadecyne,tech.90%
SCHEMBL514779SCHEMBL1275460SCHEMBL1454238SCHEMBL3626444SBB008791AKOS015836227BS-22713CS-0206615
Database identifiers
- CAS
629-74-3- PubChem CID
- 12396
- DTXSID
DTXSID2060880- EC Number
- 211-106-3
- Nikkaji
- J94.863B
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 12
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 160
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 15 °C · 15°C
- Boiling point
- 148 °C · 148°C 10mm
- Density
- 0 · 0,797 g/cm3
- refractive index
- 1.442 · 1.4420
- Flash point
- 110 °C · >110°C
- form
- clear liquid
- Specific Gravity
- 0.7965 · 0.7965 (20℃)
- color
- Colorless to Yellow
- BRN
- 1702804 · 1702804
- Henry's Law Constant
- 8.3 · 8.3×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
- InChI
- InChI=1S/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h1H,4-16H2,2H3
- InChIKey
- UCIDYSLOTJMRAM-UHFFFAOYSA-N
- SMILES
- C#CCCCCCCCCCCCCCC
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 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P301+P316, P331, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAsp. Tox. 1 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 29012990
- risk_code
- 11
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- safety_code
- 24/25
- Hazard statements
- H304
- Precautionary statements
- P501-P331-P301+P310-P405
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Hexadecyne: ACTIVE
Upstream & downstream products
Downstream products
Suppliers39 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
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]
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.+86-0411-86907150 +86-15940963210 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
TCI AMERICA800-4238616 · [email protected]
Related reactions
16 records
Compound notes
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