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L-Ascorbic acid
50-81-7 | DTXSID5020106

Searched by DSSTox_Substance_Id: Found 1 result for 'DTXSID5020106'.

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Wikipedia
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Intrinsic Properties

Molecular Formula: C6H8O6

Average Mass: 176.124 g/mol

Monoisotopic Mass: 176.032088 g/mol

Structural Identifiers

IUPAC Name: (5R)-5-[(1S)-1,2-Dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one (non-preferred name)

SMILES: [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO

InChI String: InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1

InChIKey: CIWBSHSKHKDKBQ-JLAZNSOCSA-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/DTXSID5020106 (accessed July 16, 2018), L-Ascorbic acid

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

-1.85 (1)

-2.35 (5)

-

-1.90

-1.85

-3.85 to -1.73

-

Water Solubility

-

2.21 (3)

-

2.37

-

2.88e-01 to 3.98

mol/L

Density

-

1.82 (2)

-

1.82

-

1.68 to 1.95

g/cm^3

Flash Point

-

234 (2)

-

234

-

231 to 238

°C

Melting Point

189 (9)

157 (4)

192

156

169 to 193

147 to 169

°C

Boiling Point

-

390 (5)

-

365

-

296 to 553

°C

Surface Tension

-

141 (1)

- - - -

dyn/cm

Vapor Pressure

-

1.26e-07 (4)

-

2.50e-09

-

1.62e-14 to 4.98e-07

mmHg

Viscosity

-

9.98 (1)

- - - -

cP

LogKoa: Octanol-Air

-

8.18 (1)

- - - - -

Henry's Law

-

1.28e-11 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.71 (1)

- - - - -

Molar Refractivity

-

35.3 (1)

- - - -

cm^3

Molar Volume

-

90.1 (1)

- - - -

cm^3

Polarizability

-

14.0 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental

-1.85 (1)

-

-1.85

Predicted

-2.35 (5)

-1.90

-3.85 to -1.73

Experimental

Source

Result

PhysPropNCCT

-1.85

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-3.85

Not Available

Not Available

NICEATM

-1.90

Not Available

Available

ACD/Labs Consensus

-1.89

Not Available

Not Available

ACD/Labs

-2.41

Not Available

Not Available

OPERA

-1.73

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

2.21 (3)

2.37

2.88e-01 to 3.98

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

3.98 mol/L

Not Available

Available

TEST

2.37 mol/L

TEST Report

Not Available

OPERA

2.88e-01 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.82 (2)

1.82

1.68 to 1.95

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.95 g/cm^3

Not Available

Not Available

TEST

1.68 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

234 (2)

234

231 to 238

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

238 °C

Not Available

Not Available

TEST

231 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

189 (9)

192

169 to 193

Predicted

157 (4)

156

147 to 169

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

390 (5)

365

296 to 553

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

423 °C

Not Available

Not Available

NICEATM

296 °C

Not Available

Available

ACD/Labs

553 °C

Not Available

Not Available

TEST

365 °C

TEST Report

Not Available

OPERA

314 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

141 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

141 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

1.26e-07 (4)

2.50e-09

1.62e-14 to 4.98e-07

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

4.98e-07 mmHg

Not Available

Available

ACD/Labs

1.62e-14 mmHg

Not Available

Not Available

TEST

4.49e-09 mmHg

TEST Report

Not Available

OPERA

5.04e-10 mmHg

OPERA Model Report

Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

9.98 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

9.98 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

8.18 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.18

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

1.28e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.28e-11 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.71 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.71

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

35.3 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

35.3 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

90.1 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

90.1 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

14.0 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

14.0 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

304 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

8.25e-12 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

3.54 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.09e-01 (1)

- - - -

days

Bioconcentration Factor

-

9.25e-01 (2)

-

9.25e-01

-

7.21e-02 to 1.78

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

304 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

304 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

8.25e-12 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.25e-12 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

3.54 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.54 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.09e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.09e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

9.25e-01 (2)

9.25e-01

7.21e-02 to 1.78

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

7.21e-02

Not Available

Available

OPERA

1.78

OPERA Model Report

Available

Found 191 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
L-Ascorbic acid
(5R)-5-[(1S)-1,2-Dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one (non-preferred name)
50-81-7 Active CAS-RN
(+)-Ascorbic acid
3-keto-L-Gulofuranolactone
3-Oxo-L-gulofuranolactone
Acide ascorbique
acido ascorbico
Allercorb
Antiscorbic vitamin
Antiscorbutic vitamin
Ascoltin
Ascorbajen
ASCORBIC ACID, L-
Ascorbicap
ASCORBINSAEURE
Ascorbinsaure
Ascorbutina
Ascorell
Ascorin
Ascorteal
Ascorvit
Cantaxin
Catavin C
Cebicure
Cebion, γ-lactone
Cebione
Cegiolan
Ceglion
Celaskon
Cemagyl
Ce-Mi-Lin
Cenetone
Cergona
Cescorbat
Cetamid
Cetane-Caps TC
Cetemican
Cevalin
Cevatine
Cevimin
Ce-Vi-Sol
Cevital
Cevitamic acid
Cevitamin
Cevitan
Cevitex
Chewcee
Citrovit
Colascor
Concemin
C-Vimin
Davitamon C
Juvamine
Kangbingfeng
L-(+)-Ascorbic acid
L-3-Keto-threo-hexuronic acid lactone
Laroscorbine
Lemascorb
Liqui-Cee
L-Lyxoascorbic acid
L-threo-Ascorbic acid
L-threo-Hex-2-enonic acid, γ-lactone
L-Xyloascorbic acid
Neo-Valdrin
NSC 218455
NSC 33832
Planavit C
Proscorbin
Redoxon
Ronotec 100
Rovimix C
Rovimix C-EC
Scorbu C
Secorbate
Suncoat VC 40
Testascorbic
Vicelat
Viforcit
Viscorin
Viscorin 100M
Vitacee
Vitacimin
Vitacin
VITAMIN C
Vitamisin
Vitascorbol
Xyloascorbic acid, L-
L-Ascorbate
Caswell No. 061B
EINECS 200-066-2
FEMA No. 2109
Hex-2-enonic acid gamma-lactone, L-threo-
NCI-C54808
L-threo-Hex-2-enonic acid, gamma-lactone
Acidum ascorbicum
UNII-PQ6CK8PD0R FDA Registry Number
(+)-Sodium L-ascorbate
(+)-ascorbate
(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one
Adenex
Allercorb
Arco-cee
Ascor-B.I.D.
Ascorb
Ascorbicab
Ascorbicin
Ascorbin
Ascorvit
C-Level
C-Long
C-Quin
C-Span
Cantan
Ce lent
Cebid
Cebion
Cecon
Cee-caps TD
Cee-vite
Ceklin
Celaskon
Celin
Cell C
Cemill
Cenolate
Cereon
Cetane
Cetane-caps TD
Cetebe
Cevex
Cevi-bid
Cevitamate
Cewin
Ciamin
Cipca
Citriscorb
Dora-C-500
Duoscorb
E 300
E-300
E300
Ferrous ascorbate
HiCee
Hybrin
Ido-C
Kyselina askorbova
L(+)-Ascorbate
L(+)-Ascorbic acid
L-(+)-Ascorbate
L-3-Ketothreohexuronic acid lactone
L-Lyxoascorbate
L-Xyloascorbate
Meri-c
Natrascorb
Natrascorb injectable
Redoxon
Ribena
Rontex 100
Roscorbic
Scorbacid
Scorbu-C
Sodascorbate
VASC
Vicin
Vicomin C
Viscorin 100M
Vitace
Xitix
acidum ascorbinicum
gamma-Lactone L-threo-Hex-2-enonate
gamma-Lactone L-threo-Hex-2-enonic acid
1018124-03-2 Deleted CAS-RN
129940-97-2 Deleted CAS-RN
14536-17-5 Deleted CAS-RN
154170-90-8 Deleted CAS-RN
259133-78-3 Deleted CAS-RN
30208-61-8 Deleted CAS-RN
50976-75-5 Deleted CAS-RN
56172-55-5 Deleted CAS-RN
56533-05-2 Deleted CAS-RN
57304-74-2 Deleted CAS-RN
57606-40-3 Deleted CAS-RN
623158-95-2 Deleted CAS-RN
882690-91-7 Deleted CAS-RN
884381-69-5 Deleted CAS-RN
885512-24-3 Deleted CAS-RN
88845-26-5 Deleted CAS-RN
89924-69-6 Deleted CAS-RN
1428525-25-0 Deleted CAS-RN
1703051-92-6 Deleted CAS-RN
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

281st highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

2.12e-05

1.59e-03

Ages 12-19

1.71e-05

1.24e-03

Ages 20-65

2.14e-05

1.31e-03

Ages 65+

1.79e-05

1.05e-03

BMI > 30

1.92e-05

9.20e-04

BMI < 30

2.14e-05

1.38e-03

Repro. Age Females

3.47e-05

2.09e-03

Females

3.27e-05

1.45e-03

Males

1.48e-05

1.09e-03

Total

2.05e-05

1.23e-03

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