Basic information
- CAS
3944-36-3- Standard SMILES
CC(O)COC(C)C- InChIKey
AFHJYKBGDDJSRR-UHFFFAOYSA-N- Molecular formula
- C6H14O2
- Average molar mass
- 118.17 g/mol
- Monoisotopic mass
- 118.09937969
Names & identifiers
- Preferred name
- 1-Isopropoxy-2-propanol
- IUPAC
- 1-propan-2-yloxypropan-2-ol
- English name
- 1-isopropoxypropan-2-ol
- Molecular formula
- C6H14O2
- Molecular weight
- 118.17
Names & synonyms
1-Isopropoxy-2-propanol3944-36-32-Propanol, 1-(1-methylethoxy)-2-PROPANOL, 1-ISOPROPOXY-1-(1-methylethoxy)-2-propanolUNII-1J5453324ANSC 2412NSC-2412EINECS 223-533-21J5453324ADTXSID408632971Isopropoxy2propanol
Show more names
1-isopropoxypropan-2-ol1-(1-Methylethoxy)-. 2-propanol. 2-Butoxyethanol1,1-Methylethoxy-2-propanol[=1-Isopropoxy-2-propanol]
1Isopropoxypropan2ol2Propanol, 1isopropoxyRefChem:761272Propanol, 1isopropoxy (8CI)DTXCID208119382-Propanol, 1-isopropoxy-(8CI)1-ISOPROPYLOXY-2-PROPANOL, (+-)-223-533-2
Database identifiers
- CAS
3944-36-3- PubChem CID
- 19846
- DTXSID
DTXSID40863297- UNII
- 1J5453324A
- EC Number
- 223-533-2
- Nikkaji
- J87.482E
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 52.5
Experimental & physicochemical properties
SolventsSolvents -> Glycol Ethers (P Series)
Physicochemical properties
- Melting point
- -69.47 °C · -69.47°C (estimate)
- Boiling point
- 155.74 °C · 155.74°C (rough estimate)
- Density
- 0.879 · 0.8790
- refractive index
- 1.407 · 1.4070
- pka
- 14.53 · 14.53±0.20(Predicted)
- FDA UNII
- 1 J5453324A · 1J5453324A
- EPA Substance Registry System
- 1 · 1-Isopropoxy-2-propanol (3944-36-3)
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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: 2-Propanol, 1-(1-methylethoxy)-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
2-Propanol, 1-(1-methylethoxy)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummarySee 2-Isopropoxyethanol.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- tsca
- TSCA listed
- hs_code
- 2922.19.9690
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS02
- Hazard statements
- H226-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propanol, 1-(1-methylethoxy)-: ACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers16 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
郑州盖科科技有限公司0371-63336364 17344886665 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海阿拉丁生化科技股份有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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