Basic information
- CAS
4638-03-3- Standard SMILES
C=CCOCC(O)CCl- InChIKey
DLVRPVNJFWEIFV-UHFFFAOYSA-N- Molecular formula
- C6H11ClO2
- Average molar mass
- 150.6 g/mol
- Monoisotopic mass
- 150.0447573
Names & identifiers
- Preferred name
- 1-Allyloxy-3-chloro-2-propanol
- IUPAC
- 1-chloro-3-prop-2-enoxypropan-2-ol
- English name
- 1-Allyloxy-3-chloro-2-propanol
- Molecular formula
- C6H11ClO2
- Molecular weight
- 150.6
Names & synonyms
1-Allyloxy-3-chloro-2-propanol4638-03-32-Propanol, 1-(allyloxy)-3-chloro-2-Propanol, 1-chloro-3-(2-propenyloxy)-2-Propanol, 1-chloro-3-(2-propen-1-yloxy)-86F8BX3B3QEther, allyl (3-chloro-2-hydroxypropyl)NSC 6975NSC-69752-Propanol, 1-propenyloxy-3-chloro-BRN 17464741-Chloro-3-(2'-propenoxy)-2-propanol
Show more names
3-Allyloxy-1-chloro-2-propanol1-Chloro-3-(allyloxy)-2-propanol1-Chloro-3-(allyloxy)propane-2-ol1-chloro-3-prop-2-enoxypropan-2-ol1-Chloro-3-(2-propenyloxy)-2-propanol
J25.024DALLYL CHLOROHYDRIN ETHERRefChem:429123610-296-9Allyl 3-chloro-2-hydroxypropyl etherAllyl-chlorhydrinetherDTXSID10412611-chloro-3-(prop-2-en-1-yloxy)propan-2-ol
Database identifiers
- CAS
4638-03-3- PubChem CID
- 95402
- DTXSID
DTXSID1041261- ChEMBL
CHEMBL3183647- UNII
- 86F8BX3B3Q
- EC Number
- 610-296-9
- Nikkaji
- J25.024D
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 75.5
Physicochemical properties
- Boiling point
- 207.14 °C · 207.14°C (rough estimate)
- Density
- 1.1238 · 1.1238 (rough estimate)
- refractive index
- 1.41 · 1.4100 (estimate)
- pka
- 13.35 · 13.35±0.20(Predicted)
- FDA UNII
- 86 F8BX3B3Q · 86F8BX3B3Q
- EPA Substance Registry System
- 1 · 1-Allyloxy-3-chloro-2-propanol (4638-03-3)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H302-H315-H318
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
- TSCA
- TSCA listed
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H302-H315-H318
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propanol, 1-chloro-3-(2-propen-1-yloxy)-: ACTIVE
Suppliers3 total
Related reactions
3 records
Compound notes
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