CAS 27381-15-3 1-Decyne (HCID 12997)

Overview

Dec-1-yne is an alkyne that is decane 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-Decyne
IUPAC: dec-1-yne
English name: 1-Decyne
Molecular formula: C10H18
Molecular weight: 138.25

Names & synonyms

1-DECYNE764-93-2dec-1-yneOctylacetyleneDecynen-OctylacetyleneMFCD00009576decine1-Decyne, 98%UNII-ULR28GD98Qdeca-1-yneULR28GD98Q

Show more names

I-Decin1-decineec-1-yne1-decylyne1-DECYNE 99%1-Decyne,98%

CHEBI:87322EINECS 212-132-827381-15-3DTXSID60870766AKOS015836221GS-68991-C10H18SY048328

Database identifiers

CAS: 27381-15-3、764-93-2
PubChem CID: 12997
DTXSID: DTXSID60870766
ChEBI: CHEBI:87322
UNII: ULR28GD98Q
EC Number: 212-132-8
Nikkaji: J79.936J

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 6
Heavy atoms: 10
Formal charge: 0
Complexity: 93.9

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Aliphatics, Unsaturated

SpringerMaterials PropertiesBoiling point

Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: -44 °C · -44 °C (lit.)
Boiling point: 174 °C · 174 °C (lit.)
Density: 0.766 g/mL · 0.766 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.427(lit.)
Flash point: 122 °F · 122 °F
storage temp.: 0 · 0-6°C
form: Liquid
Specific Gravity: 0.765 · 0.765
color: Clear colorless to light yellow
Water Solubility: Not miscible in water.
BRN: 1236372 · 1236372
Henry's Law Constant: 6.6 · 6.6×10-5 mol/(m3Pa) at 25℃, Yaws (2003)
Stability: Stable. Flammable. Incompatible with strong oxidizing agents.
InChI: 1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h1H,4-10H2,2H3
InChIKey: ILLHQJIJCRNRCJ-UHFFFAOYSA-N
SMILES: CCCCCCCCC#C
LogP: 4.736 · 4.736 (est)
CAS DataBase Reference: 764 · 764-93-2(CAS DataBase Reference)
NIST Chemistry Reference: 1 · 1-Decyne(764-93-2)
EPA Substance Registry System: 1 · 1-Decyne (764-93-2)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 226 · H226
Precautionary statements: 210 · P210-P233-P240-P241-P242-P243
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 10 · 10-37/38-41-51/53
Safety Statements: 26 · 26-39-60-61
RIDADR: 3295 · UN 3295 3/PG 3
WGK Germany: 3 · 3
F: 10 · 10-23
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29012980 · 29012980
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 · Flam. Liq. 3
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: 1-Decyne

Hazards SummaryAn irritant; [Sigma-Aldrich MSDS] See 1-Hexyne and 1-Butyne.

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome

Safety data

F: 10-23
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 3295 3/PG 3
hs_code: 29012980
risk_code: 10-37/38-41-51/53
Signal word: Warning
Symbol(GHS): GHS02
hazard_code: Xi
safety_code: 26-39-60-61
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
Hazard statements: H226
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Flam. Liq. 3
Precautionary statements: P210-P233-P240-P241-P242-P243

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Decyne: ACTIVE

Applications

Uses1-Decyne has been used to stabilize ruthenium nanoparticles by forming ruthenium-vinylidene interfacial bonds. It is also used as primary and secondary intermediates.