Basic information
- CAS
24823-81-2- Standard SMILES
CCC(OC)(OC)OC- InChIKey
ZGMNAIODRDOMEK-UHFFFAOYSA-N- Molecular formula
- C6H14O3
- Average molar mass
- 134.17 g/mol
- Monoisotopic mass
- 134.09429431
Names & identifiers
- Preferred name
- 1,1,1-Trimethoxypropane
- IUPAC
- 1,1,1-trimethoxypropane
- English name
- Trimethyl orthopropionate
- Molecular formula
- C6H14O3
- Molecular weight
- 134.17
Names & synonyms
Trimethyl orthopropionate1,1,1-TrimethoxypropaneZGMNAIODRDOMEK-UHFFFAOYSA-RefChem:409511607-445-5InChI=1/C6H14O3/c1-5-6(7-2,8-3)9-4/h5H2,1-4H324823-81-2Propane, 1,1,1-trimethoxy-MFCD00043305Trimethylorthopropionate1,1,1-Trimethoxypropane;trimethoxypropane
Show more names
Trimethyl orthopropitrimethyl propionateMETHYL ORTHOPROPIONATETrimethyl orthopropioteTirmethyl Ortho PropionateTriMethyl the original acidTrimethyl orthopropionate,97%
Trimethyl orthopropanoateZU8W4CE5FBSCHEMBL594581SCHEMBL941867DTXSID00179523Orthopropionic Acid Trimethyl EsterAKOS009157068AS-31018
Database identifiers
- CAS
24823-81-2- PubChem CID
- 141145
- DTXSID
DTXSID00179523- UNII
- ZU8W4CE5FB
- EC Number
- 607-445-5
- Nikkaji
- J101.145F
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 60.4
Physicochemical properties
- Boiling point
- 121 · 121-122 °C (lit.)
- Density
- 0.944 g/mL · 0.944 g/mL at 20 °C (lit.)
- refractive index
- 1.397 · 1.397-1.399
- Flash point
- 19 °C · 19 °C
- storage temp.
- Flammables area
- solubility
- soluble in Chloroform
- form
- Liquid
- color
- Clear colorless
- BRN
- 1736043 · 1736043
- InChI
- InChI=1S/C6H14O3/c1-5-6(7-2,8-3)9-4/h5H2,1-4H3
- InChIKey
- ZGMNAIODRDOMEK-UHFFFAOYSA-N
- SMILES
- C(OC)(OC)(OC)CC
- CAS DataBase Reference
- 24823 · 24823-81-2(CAS DataBase Reference)
- NIST Chemistry Reference
- 1 · Propane, 1,1,1-trimethoxy-(24823-81-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
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
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3272
- hs_code
- 29159000
- risk_code
- 36/38-11
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi-F,Xi,F
- safety_code
- 37/39-26-16-36
- hazard_class
- 3.1
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H225-H315-H319
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2
Chemistry & industry
Applications
UsesTrimethyl Orthopropionate, is a building block used in various organic synthesis.
Upstream & downstream products
Downstream products
Suppliers100 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]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
Related reactions
20 records
Compound notes
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