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3,4,4-Trimethyloxazolidine

HCID 62271
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Basic information

CAS
75673-43-7
Standard SMILES
CN1COCC1(C)C
InChIKey
VJMGCRKBPXGKAH-UHFFFAOYSA-N
Molecular formula
C6H13NO
Average molar mass
115.17 g/mol
Monoisotopic mass
115.09971404

Names & identifiers

Preferred name
3,4,4-Trimethyloxazolidine
IUPAC
3,4,4-trimethyl-1,3-oxazolidine
English name
3,4,4-trimethyl oxazolidine
Molecular formula
C6H13NO
Molecular weight
115.17352

Names & synonyms

3,4,4-Trimethyloxazolidine3,4,4-trimethyl-1,3-oxazolidine75673-43-7Caswell No. 892AAEPA Pesticide Chemical Code 114802UNII-Q0P7S4167W3,4,4-Trimethyl-1-oxa-3-azacyclopentaneQ0P7S4167WDTXSID7041465RefChem:90878DTXCID5021465Oxazolidine,3,4,4-trimethyl-
Show more names
3,4,4-trimethyl oxazolidine
Oxazolidine, 3,4,4-trimethyl-SCHEMBL408779SCHEMBL4665433VJMGCRKBPXGKAH-UHFFFAOYSA-NNS00020232Q27286856

Database identifiers

CAS
75673-43-7
PubChem CID
62271
DTXSID
DTXSID7041465
UNII
Q0P7S4167W
EC Number
616-253-0
Nikkaji
J1.568.060A

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
12.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
8
Formal charge
0
Complexity
90.5

Physicochemical properties

EWG's Food Scores
1 · 1
FDA UNII
0 P7S4167W · Q0P7S4167W
EPA Substance Registry System
3 · 3,4,4-Trimethyloxazolidine (75673-43-7)
Symbol(GHS)
5 · GHS05,GHS06
Signal word
Danger
Hazard statements
335 · H335-H315-H318-H331-H302
Precautionary statements
264 · P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
RIDADR
1993 · 1993
HazardClass
3.2 · 3.2
PackingGroup
III

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 · 5 items

This chemical does not meet GHS hazard criteria for 52.7% (39 of 74) of all reports.

Danger

H226 (17.6%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 74 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Oxazolidine, 3,4,4-trimethyl-

Oxazolidine, 3,4,4-trimethyl-: 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.

Hazard Classes and CategoriesFlam. Liq. 3 (17.6%)

Safety data

ridadr
1993
Signal word
Danger
Symbol(GHS)
GHS05,GHS06
hazard_class
3.2
packing_group
III
Hazard statements
H335-H315-H318-H331-H302
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501

Chemistry & industry

Applications

Uses3,4,4-Trimethyl-oxazolidine is a component in Bioban CS 1135 preservative (2.5%) for use in latex paints, resin emulsions, and cooling fluids.

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Compound notes

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