9-Decyn-1-ol

HCID 543752

Notes Reactions

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Basic information

CAS: 17643-36-6
Standard SMILES: C#CCCCCCCCCO
InChIKey: KOAOUMQUUZNRLL-UHFFFAOYSA-N
Molecular formula: C10H18O
Average molar mass: 154.25 g/mol
Monoisotopic mass: 154.13576519

Names & identifiers

Preferred name: 9-Decyn-1-ol
IUPAC: dec-9-yn-1-ol
English name: 9-DECYN-1-OL
Molecular formula: C10H18O
Molecular weight: 154.25

Names & synonyms

9-Decyn-1-ol17643-36-6DTXSID6066236RefChem:107840DTXCID5035616dec-9-yn-1-ol10-Hydroxy-1-decyneMFCD00049199SCHEMBL330175AKOS005137925AS-47819SY055155

Show more names

ec-9-yn-1-ol2-DECYN-2-OL9-Decyn-1-ol>9-decylyne-1-olDec-9-yn-1-ol, 96%9-Decyn-1-ol (94%)

HY-130985CS-0119650D3710F162559-?Decyn-?1-?ol (94%)FT-0651796A812184SCHEMBL330174

Database identifiers

CAS: 17643-36-6
PubChem CID: 543752
DTXSID: DTXSID6066236
Nikkaji: J693.655E

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 7
Heavy atoms: 11
Formal charge: 0
Complexity: 109

Physicochemical properties

Melting point: 1.9 °C · 1.9°C (estimate)
Boiling point: 92 °C · 92 °C / 4mmHg
Density: 0.87 · 0.87
refractive index: 1.454 · 1.4540-1.4580
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
pka: 15.19 · 15.19±0.10(Predicted)
color: Colorless to Light yellow to Light orange
InChI: InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h1,11H,3-10H2
InChIKey: KOAOUMQUUZNRLL-UHFFFAOYSA-N
SMILES: C(O)CCCCCCCC#C
EPA Substance Registry System: 9 · 9-Decyn-1-ol (17643-36-6)
TSCA: TSCA listed
HS Code: 2905.29 · 2905.29.9000

Safety & regulation

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

Hazard information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Safety data

tsca: TSCA listed
hs_code: 2905.29.9000

Chemistry & industry

Uses & manufacturing

General Manufacturing Information9-Decyn-1-ol: ACTIVE

Applications

Uses9-Decyn-1-ol is a building block used in a variety of synthetic assays, such as the synthesis of macrolactones bearing 1,3-butadiynes and the microwave-assisted synthesis of disubstituted heterocyclic compounds.

Upstream & downstream products

Downstream products

Z-9-tetradecenal

Suppliers70 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Related reactions

3 records

New reaction record

HRID 1216027As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1523005As reactantuspto-grants-2015_07

HRID 2198482As reactantuspto-grants-1982_11

Compound notes

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