2-Propanol, 1-butoxy-3-chloro-

HCID 27759
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Basic information

CAS
16224-33-2
Standard SMILES
CCCCOCC(O)CCl
InChIKey
IZHGMMBZJWHGND-UHFFFAOYSA-N
Molecular formula
C7H15ClO2
Average molar mass
166.64 g/mol
Monoisotopic mass
166.0760574

Names & identifiers

Preferred name
2-Propanol, 1-butoxy-3-chloro-
IUPAC
1-butoxy-3-chloropropan-2-ol
English name
1-Butoxy-3-chloro-2-propanol
Molecular formula
C7H15ClO2
Molecular weight
166.65

Names & synonyms

2-Propanol, 1-butoxy-3-chloro-1-Butoxy-3-chloro-2-propanolButyl 3-chloro-2-hydroxypropyl ether16224-33-2NSC 86961BRN 1698575ETHER, BUTYL (3-CHLORO-2-HYDROXYPROPYL)DTXSID108848784-01-00-02485 (Beilstein Handbook Reference)RefChem:89171DTXCID001024299605-280-3
Show more names
1-BUTOXY-3-CHLORO-PROPAN-2-OL
1-butoxy-3-chloropropan-2-olButyl-chlorhydrinetherButyl-chlorhydrinether [Czech]WLN: QYG2O43-butoxy-1-chloropropan-2-olSCHEMBL89582462-Propanol, 1-chloro-3-butoxy1-chloro-3-n-butoxy-2-propanol

Database identifiers

CAS
16224-33-2
PubChem CID
27759
DTXSID
DTXSID10884878
EC Number
605-280-3
Nikkaji
J25.029E

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
29.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
10

Experimental & physicochemical properties

Kovats Retention Index1150

Physicochemical properties

Boiling point
234.9 °C · 234.9°C (rough estimate)
Density
1.0732 · 1.0732 (rough estimate)
refractive index
1.4268 · 1.4268 (estimate)
pka
13.27 · 13.27±0.20(Predicted)
EPA Substance Registry System
2 · 2-Propanol, 1-butoxy-3-chloro- (16224-33-2)
TSCA
TSCA listed

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P354+P338, P317, P319, P330, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Propanol, 1-butoxy-3-chloro-: ACTIVE

Suppliers1 total

西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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