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2-Propene-1,1-diol, 1,1-diacetate

2-Propene-1,1-diol, 1,1-diacetate structure

CAS No:
869-29-4
Formula:
C7H10O4
Chemical Name:
2-Propene-1,1-diol, 1,1-diacetate
Synonyms:
2-Propene-1,1-diol,1,1-diacetate;2-Propene-1,1-diol,diacetate;SD 345;Allylidene acetate;Allylidene diacetate;SD 345 (ester);Acrolein diacetate;DAP;DAP (pesticide);3,3-Diacetoxy-1-propene;3,3-Diacetoxypropene;2-Propenal,monohydrate,diacetate;NSC 45020;NSC 7632;1,1-Diacetoxy-2-propene;1-(Acetyloxy)prop-2-en-1-yl acetate;89898-55-5

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2-Propene-1,1-diol, 1,1-diacetate Basic Attributes

Molecular Weight：

158.15

Exact Mass：

158.15

EC Number：

212-789-0

UNII：

5VDZ4FX754

NSC Number：

45020|7632

DSSTox ID：

DTXSID8041450

HScode：

2915390090

Characteristics

PSA：

52.6

XLogP3：

0.62470

Density：

1.076 g/cm³ @ Temp: 17 °C

Melting Point：

-37.6 °C

Boiling Point：

180 °C

Water Solubility：

0.06 M

Toxicity：

Oral-rat LD50: 35 mg/kg; Oral-Mouse LD50: 37.5 mg/kg

Flammability characteristics：

Open flame is flammable; burning releases toxic nitrogen oxide fumes

Safety Information

Packing level：

Hazard category：

6.1(a)

Transport codes：

2810

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Storage features：

The warehouse is ventilated at low temperature and dry; stored separately from oxidants, acids and food additives

Precautionary statement(s)：

P210, P260, P262, P264, P270, P271, P280, P284, P301+P310, P302+P350, P304+P340, P310, P320, P321, P322, P330, P361, P363, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H227

GHS Classification：

|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P310, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P321, P330, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H227: Combustible liquid [Warning Flammable liquids]|P210, P260, P262, P264, P270, P271, P280, P284, P301+P310, P302+P350, P304+P340, P310, P320, P321, P322, P330, P361, P363, P370+P378, P403+P233, P403+P235, P405, and P501

Toxicity

Toxicity class：

most toxic

Computed Properties

Molecular Weight:158.15
XLogP3:0.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:158.05790880
Monoisotopic Mass:158.05790880
Topological Polar Surface Area:52.6
Heavy Atom Count:11
Complexity:157
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Propene-1,1-diol, 1,1-diacetate

Basic Attributes
Characteristics
Safety Information
Toxicity
Computed Properties
Learn More Other Chemicals

2-Propene-1,1-diol, 1,1-diacetate

SDS

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