Basic information
- CAS
42919-42-6- Standard SMILES
COC(OC)C(C)O- InChIKey
PRAYXKGWSGUXQK-UHFFFAOYSA-N- Molecular formula
- C5H12O3
- Average molar mass
- 120.15 g/mol
- Monoisotopic mass
- 120.07864424
Names & identifiers
- Preferred name
- 1,1-Dimethoxypropan-2-ol
- IUPAC
- 1,1-dimethoxypropan-2-ol
- English name
- 1,1-Dimethoxy-2-propanol
- Molecular formula
- C5H12O3
- Molecular weight
- 120.15
Names & synonyms
1,1-dimethoxypropan-2-olRefChem:409940689-435-042919-42-61,1-Dimethoxy-2-propanol(RS)-1,1-Dimethoxy-2-propanolMFCD120242891,1-dimethoxy-propan-2-olDTXSID40339189(S)-2-HYDROXY-PROPIONALDEHYDEDIMETHOXYACETALAKOS013220117Z1167044501
Show more names
SKL4691,1-Dimethoxypropan-2-ol - [D94061](RS)-1,1-Dimethoxy-2-propanol >=97.0% (GC)
2-Propanol, 1,1-dimethoxy-rac-Lactaldehyde dimethyl acetal2-Hydroxypropionaldehyde dimethyl acetal1,1-Dimethoxy-2-propanol #SCHEMBL2108714EBC-605234AS-93581SY283068
Database identifiers
- CAS
42919-42-6- PubChem CID
- 554378
- DTXSID
DTXSID40339189- EC Number
- 689-435-0
- Nikkaji
- J1.558.716D
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 51.6
Physicochemical properties
- Boiling point
- 160.2 · 160.2±20.0 °C(Predicted)
- Density
- 0.984 · 0.984±0.06 g/cm3(Predicted)
- Flash point
- 50 ℃ · 50℃
- pka
- 14.9 · 14.90±0.20(Predicted)
- form
- liquid
- BRN
- 1918747 · 1918747
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H336
- Precautionary statements
- 210 · P210
- Hazard Codes
- Xi
- Risk Statements
- 10 · 10-67
- Safety Statements
- 36 · 36/37
- RIDADR
- 1993 C · UN 1993C 3 / PGIII
- WGK Germany
- 3 · 3
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, P261, P271, P280, P303+P361+P353, P304+P340, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 1993C 3 / PGIII
- risk_code
- 10-67
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 36/37
- Hazard statements
- H226-H336
- Precautionary statements
- P210
Chemistry & industry
Suppliers25 total
重庆欣博曜生物科技有限公司19122915778 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Aladdin Scientific[email protected]
江苏南创化学与生命健康研究院有限公司15720605021 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
山东李比希生物医药科技有限公司17866677155 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海伯韵医药科技有限公司13817873692 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
8 records
Compound notes
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