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n-dodecane

CAS 93685-81-5C12H26MW 170.33

n-dodecane (CAS 93685-81-5) — formula C12H26, molecular weight 170.33; category organic chemicals.

Specifications

CAS Number93685-81-5
Molecular FormulaC12H26
Molecular Weight170.33
Melting Point14.7 °F (NTP, 1992)
Boiling Point421.3 °F at 760 mmHg (NTP, 1992)
LogP6.1
ApplicationsUses: Used as a solvent (inks and degreasing) and in chemical research and production, Used in paper processing, [HSDB], Metal Degreasing [Category: Clean], Pulp and Paper Processing [Category: Industry], Textiles (Printing, Dyeing, or Finishing) [Category: Industry], Solvent, organic synthesis, distillation chaser, jet fuel research, Manufacturing paraffin products ... Lubricant oil additive., Dodecane is a component of gasoline and is used as solvent, in organic synthesis, in jet fuel research, as a distillation chaser, and in the rubber and paper processing industries., We have recommended surrogate blends for Fischer-Tropsch (F-T) blends that consist of mixtures of n-dodecane, n-decane, and iso-octane. In addition, we have described a systematic approach to generating a specific blend to match a specific fuel. Compositions for specific surrogates of two different F-T fuels have been proposed that provide a best match to cetane number, H, C ratio, lower heating value, T50 boiling point, and chemical-analysis data. Tests of these blends against experimental data for flame-propagation and flame-extinction strain rate show good agreement., For more Uses (Complete) data for n-Dodecane (11 total), please visit the HSDB record page., Use Classification: Fragrance Ingredients, Fragrance Ingredients, Cosmetics -> Solvent, Emollient, Industry Uses: Fuel, Processing aids not otherwise specified, Lubricating agent, Other, Intermediate, Heat stabilizer, Not Known or Reasonably Ascertainable, Cleaning agent, Consumer Uses: Heat stabilizer, Fuel, Household Products: Information on 1 consumer products that contain Hydrocarbons, C4, 1, 3-butadiene-free, polymd., triisobutylene fraction, hydrogenated in the following categories is provided:, • Personal Care, Methods of Manufacturing: 1-Hexene is hydroborated with sodium borohydride and boron trifluoride in diglyme. Aqueous potassium hydroxide is then added followed by aqueous silver nitrate. The major product is n-dodecane (66%)., Dodecane is isolated from the kerosene and gas oil fractions of crude oil by selective adsorption and subsequent desorption to yield mixtures of paraffins that can be separated by fractional distillation., Impurities: The common impurities or contaminants, minor products, associated with the synthesis of n-dodecane are 5-methyl undecane (5%) and a mixture of 1-hexene and n-hexane., U.S. Production: 2023: 100, 000, 000 - <250, 000 lb, 2022: 50, 000 - <100, 2021: 50, 2020: 50, (1977) AT LEAST 2.27X10+10 G, (1982) PROBABLY GREATER THAN 6.81X10+6 G, Dodecane listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and, or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B, 51FR21438)., Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#5187], Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Dodecane. National Production Volume: 50, 000 - 100, yr., General Manufacturing Information: Other (requires additional information), All Other Basic Organic Chemical Manufacturing, Petrochemical Manufacturing, All Other Chemical Product and Preparation Manufacturing, Construction, Non-metallic Mineral Product Manufacturing (includes clay, glass, cement, concrete, lime, gypsum, and other non-metallic mineral product manufacturing), Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Petroleum Lubricating Oil and Grease Manufacturing, Dodecane: ACTIVE, Hydrocarbons, hydrogenated: ACTIVE, Grades: 95, 99%, and 99.7 mole %., Occurs in the paraffin fraction of petroleum
CategoryOrganic Chemicals

Where it is used

Documented applications: Uses: Used as a solvent (inks and degreasing) and in chemical research and production, Used in paper processing, [HSDB], Metal Degreasing [Category: Clean], Pulp and Paper Processing [Category: Industry], Textiles (Printing, Dyeing, or Finishing) [Category: Industry], Solvent, organic synthesis, distillation chaser, jet fuel research, Manufacturing paraffin products ... Lubricant oil additive., Dodecane is a component of gasoline and is used as solvent, in organic synthesis, in jet fuel research, as a distillation chaser, and in the rubber and paper processing industries., We have recommended surrogate blends for Fischer-Tropsch (F-T) blends that consist of mixtures of n-dodecane, n-decane, and iso-octane. In addition, we have described a systematic approach to generating a specific blend to match a specific fuel. Compositions for specific surrogates of two different F-T fuels have been proposed that provide a best match to cetane number, H, C ratio, lower heating value, T50 boiling point, and chemical-analysis data. Tests of these blends against experimental data for flame-propagation and flame-extinction strain rate show good agreement., For more Uses (Complete) data for n-Dodecane (11 total), please visit the HSDB record page., Use Classification: Fragrance Ingredients, Fragrance Ingredients, Cosmetics -> Solvent, Emollient, Industry Uses: Fuel, Processing aids not otherwise specified, Lubricating agent, Other, Intermediate, Heat stabilizer, Not Known or Reasonably Ascertainable, Cleaning agent, Consumer Uses: Heat stabilizer, Fuel, Household Products: Information on 1 consumer products that contain Hydrocarbons, C4, 1, 3-butadiene-free, polymd., triisobutylene fraction, hydrogenated in the following categories is provided:, • Personal Care, Methods of Manufacturing: 1-Hexene is hydroborated with sodium borohydride and boron trifluoride in diglyme. Aqueous potassium hydroxide is then added followed by aqueous silver nitrate. The major product is n-dodecane (66%)., Dodecane is isolated from the kerosene and gas oil fractions of crude oil by selective adsorption and subsequent desorption to yield mixtures of paraffins that can be separated by fractional distillation., Impurities: The common impurities or contaminants, minor products, associated with the synthesis of n-dodecane are 5-methyl undecane (5%) and a mixture of 1-hexene and n-hexane., U.S. Production: 2023: 100, 000, 000 - <250, 000 lb, 2022: 50, 000 - <100, 2021: 50, 2020: 50, (1977) AT LEAST 2.27X10+10 G, (1982) PROBABLY GREATER THAN 6.81X10+6 G, Dodecane listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and, or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B, 51FR21438)., Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#5187], Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Dodecane. National Production Volume: 50, 000 - 100, yr., General Manufacturing Information: Other (requires additional information), All Other Basic Organic Chemical Manufacturing, Petrochemical Manufacturing, All Other Chemical Product and Preparation Manufacturing, Construction, Non-metallic Mineral Product Manufacturing (includes clay, glass, cement, concrete, lime, gypsum, and other non-metallic mineral product manufacturing), Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Petroleum Lubricating Oil and Grease Manufacturing, Dodecane: ACTIVE, Hydrocarbons, hydrogenated: ACTIVE, Grades: 95, 99%, and 99.7 mole %., Occurs in the paraffin fraction of petroleum.

Purchase Profile

What this product is

n-dodecane is a carbon-based organic compound with CAS registry number 93685-81-5 and molecular formula C12H26 (molecular weight 170.33), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 93685-81-5

Its molecular formula C12H26 comprises 12 C, 26 H atoms.

Also known as: n-dodecane · Dodecane, mixture of isomers

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of n-dodecane?

The CAS registry number of n-dodecane is 93685-81-5.

What is the molecular formula and molecular weight of n-dodecane?

Molecular formula C12H26, molecular weight 170.33.

What other names is n-dodecane known by?

It is also registered under: n-dodecane, Dodecane, mixture of isomers.

What are the documented applications of n-dodecane?

Recorded applications: Uses: Used as a solvent (inks and degreasing) and in chemical research and production, Used in paper processing, [HSDB], Metal Degreasing [Category: Clean], Pulp and Paper Processing [Category: Industry], Textiles (Printing, Dyeing, or Finishing) [Category: Industry], Solvent, organic synthesis, distillation chaser, jet fuel research, Manufacturing paraffin products ... Lubricant oil additive., Dodecane is a component of gasoline and is used as solvent, in organic synthesis, in jet fuel research, as a distillation chaser, and in the rubber and paper processing industries., We have recommended surrogate blends for Fischer-Tropsch (F-T) blends that consist of mixtures of n-dodecane, n-decane, and iso-octane. In addition, we have described a systematic approach to generating a specific blend to match a specific fuel. Compositions for specific surrogates of two different F-T fuels have been proposed that provide a best match to cetane number, H, C ratio, lower heating value, T50 boiling point, and chemical-analysis data. Tests of these blends against experimental data for flame-propagation and flame-extinction strain rate show good agreement., For more Uses (Complete) data for n-Dodecane (11 total), please visit the HSDB record page., Use Classification: Fragrance Ingredients, Fragrance Ingredients, Cosmetics -> Solvent, Emollient, Industry Uses: Fuel, Processing aids not otherwise specified, Lubricating agent, Other, Intermediate, Heat stabilizer, Not Known or Reasonably Ascertainable, Cleaning agent, Consumer Uses: Heat stabilizer, Fuel, Household Products: Information on 1 consumer products that contain Hydrocarbons, C4, 1, 3-butadiene-free, polymd., triisobutylene fraction, hydrogenated in the following categories is provided:, • Personal Care, Methods of Manufacturing: 1-Hexene is hydroborated with sodium borohydride and boron trifluoride in diglyme. Aqueous potassium hydroxide is then added followed by aqueous silver nitrate. The major product is n-dodecane (66%)., Dodecane is isolated from the kerosene and gas oil fractions of crude oil by selective adsorption and subsequent desorption to yield mixtures of paraffins that can be separated by fractional distillation., Impurities: The common impurities or contaminants, minor products, associated with the synthesis of n-dodecane are 5-methyl undecane (5%) and a mixture of 1-hexene and n-hexane., U.S. Production: 2023: 100, 000, 000 - <250, 000 lb, 2022: 50, 000 - <100, 2021: 50, 2020: 50, (1977) AT LEAST 2.27X10+10 G, (1982) PROBABLY GREATER THAN 6.81X10+6 G, Dodecane listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and, or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B, 51FR21438)., Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#5187], Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Dodecane. National Production Volume: 50, 000 - 100, yr., General Manufacturing Information: Other (requires additional information), All Other Basic Organic Chemical Manufacturing, Petrochemical Manufacturing, All Other Chemical Product and Preparation Manufacturing, Construction, Non-metallic Mineral Product Manufacturing (includes clay, glass, cement, concrete, lime, gypsum, and other non-metallic mineral product manufacturing), Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Petroleum Lubricating Oil and Grease Manufacturing, Dodecane: ACTIVE, Hydrocarbons, hydrogenated: ACTIVE, Grades: 95, 99%, and 99.7 mole %., Occurs in the paraffin fraction of petroleum.

Which category does n-dodecane belong to?

Category: Organic Chemicals.

PubChem Public Data

Public-database records for n-dodecane (CAS 93685-81-5), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary0.4% (4 / 1042)
Reported hazard statementsH304 (57.2%), H319 (43.2%), H226 (95.7%), H410 (12.2%), H413 (19%), H227

This chemical does not meet GHS hazard criteria for 0.4% (4 of 1042) of reports.

H304 (57.2%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

Regulatory listings

Regulatory & Food ContactEU Flavoring substances
Flavoring Agents
CIR / INCI: Emollient; Solvent
GHS notification summary0.4% (4 / 1042)

Physical description and handling notes

  • N-dodecane is a clear colorless liquid. (NTP, 1992)
  • Liquid
  • Colorless liquid; [CAMEO]
  • Colorless liquid
  • Heat of fusion: 36.8 kJ/mol at melting point
  • 71 °C (From table)

Reported physical properties

沸点421.3 °F at 760 mmHg (NTP, 1992)
沸点216.3 °C
沸点215.00 to 217.00 °C. @ 760.00 mm Hg
沸点216.3 °C @760 [mm Hg]
熔点14.7 °F (NTP, 1992)
熔点-9.55 °C
熔点-9.6 °C
闪点165 °F (NTP, 1992)
闪点83 °C (181 °F) - closed cup
闪点165 °F (74 °C) (Closed Cup)

How this substance is indexed

CAS Registry Number93685-81-5
PubChem CID8182
分子式C12H26
IUPAC 名称dodecane
UNII(FDA)11A386X1QH

Documented uses

  • Used as a solvent (inks and degreasing) and in chemical research and production; Used in paper processing; [HSDB]
  • Metal Degreasing [Category: Clean]
  • Pulp and Paper Processing [Category: Industry]
  • Textiles (Printing, Dyeing, or Finishing) [Category: Industry]
  • Solvent, organic synthesis, distillation chaser, jet fuel research
  • Manufacturing paraffin products ... Lubricant oil additive.

Names this substance appears under

DODECANE; n-Dodecane; 112-40-3; Dihexyl; Bihexyl; Adakane 12; N-Dodecan; Duodecane; Ba 51-090453; DTXSID0026913; 11A386X1QH; NSC-8714; DTXCID906913; CHEBI:28817; RefChem:5775; 203-967-9

Computed molecular descriptors

分子量170.33
XLogP36.1
氢键供体数0
氢键受体数0
可旋转键数9
精确质量170.203450829
单同位素质量170.203450829
拓扑极性表面积0
重原子数12
形式电荷0

Database abstract

n-dodecane · CAS 93685-81-5 · C12H26. UNII 11A386X1QH. 沸点: 421.3 °F at 760 mmHg (NTP, 1992); 沸点: 216.3 °C; 沸点: 215.00 to 217.00 °C. @ 760.00 mm Hg.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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