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p-Cymen-8-ol
1197-01-9 | DTXSID0024890

Searched by CAS-RN: Found 1 result for '1197-01-9'.

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Intrinsic Properties

Molecular Formula: C10H14O

Average Mass: 150.221 g/mol

Monoisotopic Mass: 150.104465 g/mol

Structural Identifiers

IUPAC Name: 2-(4-Methylphenyl)propan-2-ol

SMILES: CC1=CC=C(C=C1)C(C)(C)O

InChI String: InChI=1S/C10H14O/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7,11H,1-3H3

InChIKey: XLPDVYGDNRIQFV-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/DTXSID0024890 (accessed June 21, 2018), p-Cymen-8-ol

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

-

2.41 (5)

-

2.43

-

2.19 to 2.62

-

Water Solubility

-

1.13e-02 (4)

-

1.12e-02

-

9.39e-03 to 1.33e-02

mol/L

Density

-

9.78e-01 (2)

-

9.78e-01

-

9.77e-01 to 9.79e-01

g/cm^3

Flash Point

-

100 (2)

-

100

-

98.2 to 103

°C

Melting Point

-

35.8 (4)

-

28.5

-

25.7 to 60.5

°C

Boiling Point

64.0 (2)

223 (5)

64.0

229

64.0

205 to 235

°C

Surface Tension

-

33.3 (2)

-

33.3

-

32.9 to 33.8

dyn/cm

Thermal Conductivity

-

134 (1)

- - - -

mW/(m*K)

Vapor Pressure

-

5.43e-02 (4)

-

2.80e-02

-

5.27e-03 to 1.56e-01

mmHg

Viscosity

-

4.58 (1)

- - - -

cP

LogKoa: Octanol-Air

-

6.95 (1)

- - - - -

Henry's Law

-

8.48e-07 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.52 (1)

- - - - -

Molar Refractivity

-

46.4 (1)

- - - -

cm^3

Molar Volume

-

153 (1)

- - - -

cm^3

Polarizability

-

18.4 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

2.41 (5)

2.43

2.19 to 2.62

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

2.49

Not Available

Not Available

NICEATM

2.43

Not Available

Available

ACD/Labs Consensus

2.34

Not Available

Not Available

ACD/Labs

2.19

Not Available

Not Available

OPERA

2.62

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

1.13e-02 (4)

1.12e-02

9.39e-03 to 1.33e-02

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.21e-02 mol/L

Not Available

Not Available

NICEATM

1.33e-02 mol/L

Not Available

Available

OPERA

9.39e-03 mol/L

OPERA Model Report

Available

TEST

1.03e-02 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

9.78e-01 (2)

9.78e-01

9.77e-01 to 9.79e-01

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

9.79e-01 g/cm^3

Not Available

Not Available

TEST

9.77e-01 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

100 (2)

100

98.2 to 103

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

103 °C

Not Available

Not Available

TEST

98.2 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

35.8 (4)

28.5

25.7 to 60.5

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

25.7 °C

Not Available

Not Available

NICEATM

60.5 °C

Not Available

Available

OPERA

27.5 °C

OPERA Model Report

Available

TEST

29.6 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental

64.0 (2)

64.0

64.0

Predicted

223 (5)

229

205 to 235

Experimental

Source

Result

Oxford University Chemical Safety Data (No longer updated)

64.0 °C

Food and Agriculture Organization of the United Nations

64.0 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

229 °C

Not Available

Not Available

NICEATM

216 °C

Not Available

Available

ACD/Labs

205 °C

Not Available

Not Available

OPERA

231 °C

OPERA Model Report

Available

TEST

235 °C

TEST Report

Not Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

33.3 (2)

33.3

32.9 to 33.8

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

33.8 dyn/cm

Not Available

Not Available

TEST

32.9 dyn/cm

TEST Report

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

134 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

134 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

5.43e-02 (4)

2.80e-02

5.27e-03 to 1.56e-01

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

5.27e-03 mmHg

Not Available

Available

ACD/Labs

1.56e-01 mmHg

Not Available

Not Available

OPERA

2.49e-02 mmHg

OPERA Model Report

Available

TEST

3.10e-02 mmHg

TEST Report

Not Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

4.58 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

4.58 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

6.95 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

6.95

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

8.48e-07 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.48e-07 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.52 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.52

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

46.4 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

46.4 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

153 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

153 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

18.4 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

18.4 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

390 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

2.07e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

3.35 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

8.91e-02 (1)

- - - -

days

Bioconcentration Factor

-

13.0 (3)

-

11.2

-

3.50 to 24.3

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

390 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

390 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

2.07e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.07e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

3.35 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.35 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

8.91e-02 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.91e-02 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

13.0 (3)

11.2

3.50 to 24.3

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

3.50

Not Available

Available

OPERA

11.2

OPERA Model Report

Available

TEST

24.3

TEST Report

Not Available

Found 29 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
p-Cymen-8-ol
2-(4-Methylphenyl)propan-2-ol
Benzenemethanol, alpha,alpha,4-trimethyl-
1197-01-9 Active CAS-RN
Benzenemethanol, α,α,4-trimethyl-
1-Methyl-4-(1-hydroxy-1-methylethyl)benzene
1-Methyl-4-(α-hydroxyisopropyl)benzene
2-(4-Methylphenyl)-2-propanol
2-(p-Methylphenyl)-2-propanol
2-(p-Tolyl)-2-propanol
4-Methylcumyl alcohol
8-Hydroxy-p-cymene
alcohol α,α,4-trimetilbencilico
Alcool α,α,4-trimethylbenzylique
Dimethyl-p-tolyl carbinol
NSC 361057
TOLUENE, 4-(2-HYDROXYPROP-2-YL)-
α,α,4-Trimethylbenzenemethanol
α,α,4-trimethylbenzyl alcohol
α,α,4-Trimethylbenzylalkohol
Cymen-8-ol, p-
EINECS 214-817-7
FEMA No. 3242
1-Methyl-4-(alpha-hydroxyisopropyl)benzene
2-p-Tolyl-2-propanol
alpha,alpha,4-Trimethylbenzenemethanol
p,alpha,alpha-Trimethylbenzyl alcohol
Trimethylbenzyl alcohol, P,alpha,alpha-
UNII-6TFS69V5BW FDA Registry Number
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

734th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

2.34e-06

1.85e-04

Ages 12-19

1.67e-06

8.04e-05

Ages 20-65

1.53e-06

1.15e-04

Ages 65+

9.65e-07

1.03e-04

BMI > 30

1.05e-06

1.04e-04

BMI < 30

1.58e-06

1.48e-04

Repro. Age Females

1.79e-06

1.48e-04

Females

1.26e-06

1.17e-04

Males

1.34e-06

1.03e-04

Total

1.27e-06

8.41e-05

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