CAS 10160-87-9 3,3-Diethoxypropyne (HCID 66285)

Names & identifiers

Preferred name: 3,3-Diethoxypropyne
IUPAC: 3,3-diethoxyprop-1-yne
English name: Propargylaldehyde diethyl acetal
Molecular formula: C7H12O2
Molecular weight: 128.17

Names & synonyms

3,3-DiethoxypropyneEINECS 233-430-4DTXSID60144050NSC 45019RefChem:485249DTXCID4066541233-430-410160-87-93,3-diethoxyprop-1-yne3,3-Diethoxy-1-propynePropargylaldehyde diethyl acetal1-Propyne, 3,3-diethoxy-

Show more names

3,3-dimethoxyprop-1-yne3,3-Diethoxy-1-propyne~Propargylaldehyde diethyl acetal(C2H5O)2CHC≡CH

Propiolaldehyde diethyl acetalPROPYNAL DIETHYL ACETAL3,3-diethoxy-propyneMFCD0000923736678-60-11,1-diethoxyprop-2-yneNSC-45019NSC45019

Database identifiers

CAS: 10160-87-9
PubChem CID: 66285
DTXSID: DTXSID60144050
UNII: 9WJT2CB9DS
EC Number: 233-430-4
Nikkaji: J227.079J

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 9
Formal charge: 0
Complexity: 94

Physicochemical properties

Boiling point: 138 · 138-139.5 °C(lit.)
Density: 0.894 g/mL · 0.894 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.412(lit.)
Flash point: 90 °F · 90 °F
storage temp.: 2 · 2-8°C
solubility: Chloroform, Methanol (Slightly)
form: Liquid
Specific Gravity: 0.894 · 0.894
color: Clear light yellow
Water Solubility: Slightly soluble in water.
BRN: 1701566 · 1701566
Stability: Light Sensitive, Volatile
InChI: InChI=1S/C7H12O2/c1-4-7(8-5-2)9-6-3/h1,7H,5-6H2,2-3H3
InChIKey: RGUXEWWHSQGVRZ-UHFFFAOYSA-N
SMILES: C#CC(OCC)OCC
CAS DataBase Reference: 10160 · 10160-87-9(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H315-H319-H335
Precautionary statements: 210 · P210-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 10 · 10-36/37/38
Safety Statements: 16 · 16-26-36
RIDADR: 1993 · UN 1993 3/PG 3
WGK Germany: 3 · 3
F: 21 · 21
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29110000 · 29110000
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 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 · 5 items

Warning

H226 (98%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (98%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98%)

Safety data

F: 21
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29110000
risk_code: 10-36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi
safety_code: 16-26-36
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H226-H315-H319-H335
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: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P302+P352-P305+P351+P338

Chemistry & industry

Applications

UsesPropargylaldehyde diethyl acetal is a useful reactant for the synthesis of alkenylsilanes via radical stereoselective hydrosilylation of alkynes with the help of Eosin Y and thiols as catalysts.