1,1,3-Triethoxypropane
Basic information
- CAS
7789-92-6- Standard SMILES
CCOCCC(OCC)OCC- InChIKey
LGICWIVABSMSDK-UHFFFAOYSA-N- Molecular formula
- C9H20O3
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.1412445
Names & identifiers
- Preferred name
- 1,1,3-Triethoxypropane
- IUPAC
- 1,1,3-triethoxypropane
- English name
- 1,1,3-Triethoxypropane
- Molecular formula
- C9H20O3
- Molecular weight
- 176.25
Names & synonyms
1,1,3-Triethoxypropane7789-92-63-Ethoxypropionaldehyde diethyl acetalPropane, 1,1,3-triethoxy-1,3,3-Triethoxypropane3-Ethoxypropanal diethyl acetalPROPANE, 1,3,3-TRIETHOXY-Propionaldehyde, 3-ethoxy-, diethyl acetalUNII-1QW8J6VXAM1QW8J6VXAM.beta.-Ethoxypropionaldehyde diethyl acetalEINECS 232-193-4
Show more names
1,3,3-triethoxy-propan1,1,3-triethoxy-propan1，3，3-Triethoxypropane1,1,3-Triethoxypropane, 98+%B-ETHOXYPROPIONALDEHYDE, DIETHYL ACETAL
NSC 71868BRN 1098506beta-Ethoxypropionaldehyde diethyl acetalAI3-06431NSC-71868DTXSID402285094-01-00-03971 (Beilstein Handbook Reference)RefChem:70956
Database identifiers
- CAS
7789-92-6- PubChem CID
- 24624
- DTXSID
DTXSID40228509- UNII
- 1QW8J6VXAM
- EC Number
- 232-193-4
- Nikkaji
- J35.473B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 79.8
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 184 · 184-186 °C(lit.)
- Density
- 0.898 g/mL · 0.898 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.406(lit.)
- FLAVIS Number
- 6.097 · 06.097 | 1,1,3-Triethoxypropane
- Flash point
- 128 °F · 128 °F
- storage temp.
- Flammables area
- biological source
- synthetic
- BRN
- 1098506 · 1098506
- InChI
- 1S/C9H20O3/c1-4-10-8-7-9(11-5-2)12-6-3/h9H,4-8H2,1-3H3
- InChIKey
- LGICWIVABSMSDK-UHFFFAOYSA-N
- SMILES
- CCOCCC(OCC)OCC
- LogP
- 1.61 · 1.610 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 1 QW8J6VXAM · 1QW8J6VXAM
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H302
- Precautionary statements
- 210 · P210-P301+P312+P330
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn
- Risk Statements
- 10 · 10-22-2017/10/22
- Safety Statements
- 16 · 16-36
- RIDADR
- 3271 · UN 3271 3/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 9450000 · TZ9450000
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29110000 · 29110000
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 OralFlam · Acute Tox. 4 OralFlam. Liq. 3
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 1600 mg/kg AMIHBC 4,119,51
- 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
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
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 132 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Propane, 1,1,3-triethoxy-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Propane, 1,1,3-triethoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- TZ9450000
- ridadr
- UN 3271 3/PG 3
- hs_code
- 29110000
- Toxicity
- LD50 orl-rat: 1600 mg/kg AMIHBC 4,119,51
- risk_code
- 10-22-2017/10/22
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xn
- safety_code
- 16-36
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226-H302
- 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
- Acute Tox. 4 OralFlam. Liq. 3
- Precautionary statements
- P210-P301+P312+P330
Chemistry & industry
Applications
Usesflavors and fragrances
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
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Compound notes
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