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Hexamethyldisilazane
999-97-3 | DTXSID2025395

Searched by CAS-RN: Found 1 result for '999-97-3'.

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Intrinsic Properties

Molecular Formula: C6H19NSi2

Average Mass: 161.395 g/mol

Monoisotopic Mass: 161.105603 g/mol

Structural Identifiers

IUPAC Name: 1,1,1-Trimethyl-N-(trimethylsilyl)silanamine

SMILES: C[Si](C)(C)N[Si](C)(C)C

InChI String: InChI=1S/C6H19NSi2/c1-8(2,3)7-9(4,5)6/h7H,1-6H3

InChIKey: FFUAGWLWBBFQJT-UHFFFAOYSA-N

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Structural Skeleton Full Structure

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Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID2025395 (accessed June 19, 2018), Hexamethyldisilazane

Data Quality

Level 1:Expert curated, highest confidence in accuracy and consistency of unique chemical identifiers

Level 2:Expert curated, unique chemical identifiers using multiple sources

Level 3:Programmatically curated from high quality EPA source, unique chemical identifiers have no conflicts in ChemID and PubChem

Level 4:Programmatically curated from ChemID, unique chemical identifiers have no conflicts in PubChem

Level 5:Programmatically curated from ACToR or PubChem, unique chemical identifiers with low confidence, single public source

No Quality Control Notes.

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

-

3.18 (5)

-

2.86

-

2.32 to 4.16

-

Water Solubility

-

8.86e-03 (3)

-

2.43e-03

-

1.49e-04 to 2.40e-02

mol/L

Density

-

7.74e-01 (2)

-

7.74e-01

-

7.71e-01 to 7.76e-01

g/cm^3

Flash Point

-

29.3 (2)

-

29.3

-

28.6 to 30.0

°C

Melting Point

-78.8 (5)

-45.9 (4)

-78.0

-53.6

-80.0 to -78.0

-61.4 to -14.9

°C

Boiling Point

126 (5)

121 (5)

126

124

125 to 127

108 to 126

°C

Surface Tension

-

18.0 (2)

-

18.0

-

16.2 to 19.7

dyn/cm

Vapor Pressure

13.8 (1)

16.0 (4)

-

15.3

13.8

7.88 to 25.7

mmHg

LogKoa: Octanol-Air

-

3.75 (1)

- - - - -

Henry's Law

-

1.55e-01 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.40 (1)

- - - - -

Molar Refractivity

-

50.9 (1)

- - - -

cm^3

Molar Volume

-

208 (1)

- - - -

cm^3

Polarizability

-

20.2 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

3.18 (5)

2.86

2.32 to 4.16

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

2.62

Not Available

Not Available

NICEATM

2.86

Not Available

Available

ACD/Labs Consensus

3.93

Not Available

Not Available

ACD/Labs

2.32

Not Available

Not Available

OPERA

4.16

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

8.86e-03 (3)

2.43e-03

1.49e-04 to 2.40e-02

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

2.43e-03 mol/L

Not Available

Not Available

NICEATM

2.40e-02 mol/L

Not Available

Available

OPERA

1.49e-04 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

7.74e-01 (2)

7.74e-01

7.71e-01 to 7.76e-01

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

7.76e-01 g/cm^3

Not Available

Not Available

TEST

7.71e-01 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

29.3 (2)

29.3

28.6 to 30.0

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

30.0 °C

Not Available

Not Available

TEST

28.6 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

-78.8 (5)

-78.0

-80.0 to -78.0

Predicted

-45.9 (4)

-53.6

-61.4 to -14.9

Experimental

Source

Result

Jean-Claude Bradley Open Melting Point Dataset

-78.0 °C

SynQuest

-80.0 °C

SynQuest

-80.0 °C

Alfa Aesar

-78.0 °C

Alfa Aesar

-78.0 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-58.1 °C

Not Available

Not Available

NICEATM

-61.4 °C

Not Available

Available

OPERA

-49.1 °C

OPERA Model Report

Available

TEST

-14.9 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental

126 (5)

126

125 to 127

Predicted

121 (5)

124

108 to 126

Experimental

Source

Result

Oxford University Chemical Safety Data (No longer updated)

125 °C

Alfa Aesar

126 °C

Alfa Aesar

126 °C

SynQuest

127 °C

PhysPropNCCT

125 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

108 °C

Not Available

Not Available

NICEATM

124 °C

Not Available

Available

ACD/Labs

126 °C

Not Available

Not Available

OPERA

125 °C

OPERA Model Report

Available

TEST

122 °C

TEST Report

Not Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

18.0 (2)

18.0

16.2 to 19.7

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

16.2 dyn/cm

Not Available

Not Available

TEST

19.7 dyn/cm

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental

13.8 (1)

-

13.8

Predicted

16.0 (4)

15.3

7.88 to 25.7

Experimental

Source

Result

PhysPropNCCT

13.8 mmHg

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

7.88 mmHg

Not Available

Available

ACD/Labs

11.9 mmHg

Not Available

Not Available

OPERA

18.7 mmHg

OPERA Model Report

Available

TEST

25.7 mmHg

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

3.75 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.75

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

1.55e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.55e-01 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.40 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.40

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

50.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

50.9 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

208 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

208 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

20.2 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

20.2 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

513 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

1.16e-12 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

164 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.49e-01 (1)

- - - -

days

Bioconcentration Factor

-

105 (2)

-

105

-

43.5 to 166

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

513 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

513 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.16e-12 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.16e-12 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

164 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

164 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.49e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.49e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

105 (2)

105

43.5 to 166

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

166

Not Available

Available

OPERA

43.5

OPERA Model Report

Available

Found 26 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Hexamethyldisilazane
1,1,1-Trimethyl-N-(trimethylsilyl)silanamine
Silanamine, 1,1,1-trimethyl-N-(trimethylsilyl)-
999-97-3 Active CAS-RN
Silanamine, 1,1,1-trimethyl-N-(trimethylsilyl)-
bis(trimethylsilyl)amine
1,1,1,3,3,3-Hexamethyldisilazan
1,1,1,3,3,3-Hexamethyldisilazane
1,1,1,3,3,3-hexametildisilazano
1,1,1-Trimethyl-N-(trimethylsilyl)silanamine
Di(trimethylsilyl)amine
Disilazane, 1,1,1,3,3,3-hexamethyl-
Hexamethyldisilylamine
Hexamethylsilazane
NSC 93895
EINECS 213-668-5
UNII-H36C68P1BH FDA Registry Number
((CH3)3Si)2NH
(TMS)2NH
HMDS
Trimethyl-N-(trimethylsilyl)silanamine
103737-28-6 Deleted CAS-RN
116638-29-0 Deleted CAS-RN
127290-38-4 Deleted CAS-RN
18186-75-9 Deleted CAS-RN
761458-30-4 Deleted CAS-RN
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

1240th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

3.66e-07

5.70e-05

Ages 12-19

4.38e-07

4.70e-05

Ages 20-65

4.65e-07

4.97e-05

Ages 65+

3.98e-07

5.20e-05

BMI > 30

3.26e-07

3.24e-05

BMI < 30

5.28e-07

4.89e-05

Repro. Age Females

5.01e-07

6.54e-05

Females

5.42e-07

7.01e-05

Males

2.28e-07

1.67e-05

Total

4.61e-07

5.98e-05

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