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Undecyl alcohol

CAS 112-42-5C11H24OMW 172.18 g/mol

Undecyl alcohol (CAS 112-42-5) — formula C11H24O, molecular weight 172.18 g/mol.

Specifications

CAS Number112-42-5
Molecular FormulaC11H24O
Molecular Weight172.18 g/mol
Melting Point60.6 °F (USCG, 1999)
Boiling Point473 °F at 760 mmHg (USCG, 1999)
LogP4.6
ApplicationsUses: Used as a synthetic flavoring for food and in perfumes, [HSDB], Used as intermediate for linear phthalate plasticizers and detergent alcohol ethoxylates, Food additive-synthetic flavor, Perfumery, flavoring, CHEM INT FOR DIUNDECYL PHTHALATE, CHEM INT FOR LINEAR PHTHALATE PLASTICIZERS-AS C7-C11 MIXT, CHEM INT FOR DETERGENT ALCOHOL ETHOXYLATES-AS C9-C11 MIXT, Use Classification: EPA Safer Chemical Functional Use Classes -> Solvents, Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern, Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Cosmetics -> Skin conditioning, Antiseborrhoeic, Industry Uses: Intermediate, Not Known or Reasonably Ascertainable, Consumer Uses: Intermediate, Methods of Manufacturing: By reduction of the corresponding aldehyde., HYDROFORMYLATION OF C6, C8, AND C10 LINEAR ALPHA-OLEFINS TO YIELD A MIXTURE OF C7, C9, AND C11 ALCOHOLS FOLLOWED BY SEPARATION OF THE C11 FRACTION, Formulations, Preparations: Purity: a minimum of 97-98.5% undecyl alcohol., U.S. Production: 2023: 100, 000, 000 - <250, 000 lb, 2022: 55, 000 - <70, 2021: 100, 2020: 100, This chemical is listed as a High Production Volume (HPV) (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)., (1990) >1 million-10 million pounds, (1994) >10 million-50 million pounds, (1998) >10 million-50 million pounds, (2002) >10 million-50 million pounds, (1977) No Data, (1979) 4.54X10+9 GRAMS (EST CONSUMPTION), U.S. Imports: (1977) No Data, (1979) No Data, U.S. Exports: (1977) 1.08X10+9 GRAMS, General Manufacturing Information: All Other Chemical Product and Preparation Manufacturing, All Other Basic Organic Chemical Manufacturing, Petrochemical Manufacturing, 1-Undecanol: ACTIVE, Undecanol: ACTIVE, Decane, hydroxymethyl deriv.: INACTIVE, Commercial products from the family of 6 to 11 carbon alcohols that make up the plasticizer range are available both as ... pure single carbon chain materials and as complex isomeric mixtures. Commercial descriptions of plasticizer range alcohols are ... in general a ... pure material is called "-anol", eg, 1-undecanol, and the mixtures are called "-yl alcohol, undecyl alcohol, or "iso...yl alcohol", isoundecyl alcohol, ., Reported uses, include, non-alcoholic beverages 4.09 ppm, ice cream, ices, etc 15.47 ppm, candy 17.65 ppm, baked goods 17.66 ppm, alcoholic beverages 4.50 ppm., EFFECT OF CHEMICAL PINCHING OF CHRYSANTHEMUMS WITH UNDECANOL STUDIED. SINGLE APPLICATION OF 1% UNDECANOL, APPLIED TO 4TH SHORT DAY, REMOVED APICAL MERISTEMS IN CHRYSANTHEMUM (CHRYSANTHEMUM MORIFOLIUM)., THE EFFECT OF UNDECANOL ON SEXUAL ATTRACTION OF MALE CODLING MOTHS TO SYNTHETIC SEX PHEROMONE & VIRGIN FEMALES IN TRAPS WAS STUDIED. IN LAB TESTS OF NORMAL ALCOHOLS, ONLY UNDECANOL SHOWED SIGNIFICANT INHIBITION. IN FIELD TESTS UNDECANOL REQUIRED ABOUT 20 MG, TRAP., FOLIAR SPRAYS OF UNDECANOL INCR BRANCHING IN SOME CULTIVARS OF EUPHORBIA PULCHERRIMA COMPARED TO UNPINCHED CONTROLS, BUT DID NOT INCR BRANCHING COMPARED TO MANUALLY PINCHED PLANTS. PLANTS MARKETABLY UNACCEPTABLE., 1-UNDECANOL @ 0.16-0.32 MOLAR SPRAYED ON TOBACCO NICOTIANA ACTIVELY KILLED OR INHIBITED AXILLARY & TERMINAL BUD GROWTH. WITHOUT SURFACANT, C11 ALCOHOLS EXHIBITED NONSELECTIVE TISSUE KILL.

Where it is used

Documented applications: Uses: Used as a synthetic flavoring for food and in perfumes, [HSDB], Used as intermediate for linear phthalate plasticizers and detergent alcohol ethoxylates, Food additive-synthetic flavor, Perfumery, flavoring, CHEM INT FOR DIUNDECYL PHTHALATE, CHEM INT FOR LINEAR PHTHALATE PLASTICIZERS-AS C7-C11 MIXT, CHEM INT FOR DETERGENT ALCOHOL ETHOXYLATES-AS C9-C11 MIXT, Use Classification: EPA Safer Chemical Functional Use Classes -> Solvents, Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern, Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Cosmetics -> Skin conditioning, Antiseborrhoeic, Industry Uses: Intermediate, Not Known or Reasonably Ascertainable, Consumer Uses: Intermediate, Methods of Manufacturing: By reduction of the corresponding aldehyde., HYDROFORMYLATION OF C6, C8, AND C10 LINEAR ALPHA-OLEFINS TO YIELD A MIXTURE OF C7, C9, AND C11 ALCOHOLS FOLLOWED BY SEPARATION OF THE C11 FRACTION, Formulations, Preparations: Purity: a minimum of 97-98.5% undecyl alcohol., U.S. Production: 2023: 100, 000, 000 - <250, 000 lb, 2022: 55, 000 - <70, 2021: 100, 2020: 100, This chemical is listed as a High Production Volume (HPV) (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)., (1990) >1 million-10 million pounds, (1994) >10 million-50 million pounds, (1998) >10 million-50 million pounds, (2002) >10 million-50 million pounds, (1977) No Data, (1979) 4.54X10+9 GRAMS (EST CONSUMPTION), U.S. Imports: (1977) No Data, (1979) No Data, U.S. Exports: (1977) 1.08X10+9 GRAMS, General Manufacturing Information: All Other Chemical Product and Preparation Manufacturing, All Other Basic Organic Chemical Manufacturing, Petrochemical Manufacturing, 1-Undecanol: ACTIVE, Undecanol: ACTIVE, Decane, hydroxymethyl deriv.: INACTIVE, Commercial products from the family of 6 to 11 carbon alcohols that make up the plasticizer range are available both as ... pure single carbon chain materials and as complex isomeric mixtures. Commercial descriptions of plasticizer range alcohols are ... in general a ... pure material is called "-anol", eg, 1-undecanol, and the mixtures are called "-yl alcohol, undecyl alcohol, or "iso...yl alcohol", isoundecyl alcohol, ., Reported uses, include, non-alcoholic beverages 4.09 ppm, ice cream, ices, etc 15.47 ppm, candy 17.65 ppm, baked goods 17.66 ppm, alcoholic beverages 4.50 ppm., EFFECT OF CHEMICAL PINCHING OF CHRYSANTHEMUMS WITH UNDECANOL STUDIED. SINGLE APPLICATION OF 1% UNDECANOL, APPLIED TO 4TH SHORT DAY, REMOVED APICAL MERISTEMS IN CHRYSANTHEMUM (CHRYSANTHEMUM MORIFOLIUM)., THE EFFECT OF UNDECANOL ON SEXUAL ATTRACTION OF MALE CODLING MOTHS TO SYNTHETIC SEX PHEROMONE & VIRGIN FEMALES IN TRAPS WAS STUDIED. IN LAB TESTS OF NORMAL ALCOHOLS, ONLY UNDECANOL SHOWED SIGNIFICANT INHIBITION. IN FIELD TESTS UNDECANOL REQUIRED ABOUT 20 MG, TRAP., FOLIAR SPRAYS OF UNDECANOL INCR BRANCHING IN SOME CULTIVARS OF EUPHORBIA PULCHERRIMA COMPARED TO UNPINCHED CONTROLS, BUT DID NOT INCR BRANCHING COMPARED TO MANUALLY PINCHED PLANTS. PLANTS MARKETABLY UNACCEPTABLE., 1-UNDECANOL @ 0.16-0.32 MOLAR SPRAYED ON TOBACCO NICOTIANA ACTIVELY KILLED OR INHIBITED AXILLARY & TERMINAL BUD GROWTH. WITHOUT SURFACANT, C11 ALCOHOLS EXHIBITED NONSELECTIVE TISSUE KILL..

Purchase Profile

What this product is

Undecyl alcohol is a chemical compound with CAS registry number 112-42-5 and molecular formula C11H24O (molecular weight 172.18 g/mol).

Identification

CAS number: 112-42-5

Its molecular formula C11H24O comprises 11 C, 24 H, 1 O atoms.

Also known as: Undecyl alcohol · 1-UNDECANOL

Frequently Asked Questions

What is the CAS number of Undecyl alcohol?

The CAS registry number of Undecyl alcohol is 112-42-5.

What is the molecular formula and molecular weight of Undecyl alcohol?

Molecular formula C11H24O, molecular weight 172.18 g/mol.

What other names is Undecyl alcohol known by?

It is also registered under: Undecyl alcohol, 1-UNDECANOL.

What are the documented applications of Undecyl alcohol?

Recorded applications: Uses: Used as a synthetic flavoring for food and in perfumes, [HSDB], Used as intermediate for linear phthalate plasticizers and detergent alcohol ethoxylates, Food additive-synthetic flavor, Perfumery, flavoring, CHEM INT FOR DIUNDECYL PHTHALATE, CHEM INT FOR LINEAR PHTHALATE PLASTICIZERS-AS C7-C11 MIXT, CHEM INT FOR DETERGENT ALCOHOL ETHOXYLATES-AS C9-C11 MIXT, Use Classification: EPA Safer Chemical Functional Use Classes -> Solvents, Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern, Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Cosmetics -> Skin conditioning, Antiseborrhoeic, Industry Uses: Intermediate, Not Known or Reasonably Ascertainable, Consumer Uses: Intermediate, Methods of Manufacturing: By reduction of the corresponding aldehyde., HYDROFORMYLATION OF C6, C8, AND C10 LINEAR ALPHA-OLEFINS TO YIELD A MIXTURE OF C7, C9, AND C11 ALCOHOLS FOLLOWED BY SEPARATION OF THE C11 FRACTION, Formulations, Preparations: Purity: a minimum of 97-98.5% undecyl alcohol., U.S. Production: 2023: 100, 000, 000 - <250, 000 lb, 2022: 55, 000 - <70, 2021: 100, 2020: 100, This chemical is listed as a High Production Volume (HPV) (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)., (1990) >1 million-10 million pounds, (1994) >10 million-50 million pounds, (1998) >10 million-50 million pounds, (2002) >10 million-50 million pounds, (1977) No Data, (1979) 4.54X10+9 GRAMS (EST CONSUMPTION), U.S. Imports: (1977) No Data, (1979) No Data, U.S. Exports: (1977) 1.08X10+9 GRAMS, General Manufacturing Information: All Other Chemical Product and Preparation Manufacturing, All Other Basic Organic Chemical Manufacturing, Petrochemical Manufacturing, 1-Undecanol: ACTIVE, Undecanol: ACTIVE, Decane, hydroxymethyl deriv.: INACTIVE, Commercial products from the family of 6 to 11 carbon alcohols that make up the plasticizer range are available both as ... pure single carbon chain materials and as complex isomeric mixtures. Commercial descriptions of plasticizer range alcohols are ... in general a ... pure material is called "-anol", eg, 1-undecanol, and the mixtures are called "-yl alcohol, undecyl alcohol, or "iso...yl alcohol", isoundecyl alcohol, ., Reported uses, include, non-alcoholic beverages 4.09 ppm, ice cream, ices, etc 15.47 ppm, candy 17.65 ppm, baked goods 17.66 ppm, alcoholic beverages 4.50 ppm., EFFECT OF CHEMICAL PINCHING OF CHRYSANTHEMUMS WITH UNDECANOL STUDIED. SINGLE APPLICATION OF 1% UNDECANOL, APPLIED TO 4TH SHORT DAY, REMOVED APICAL MERISTEMS IN CHRYSANTHEMUM (CHRYSANTHEMUM MORIFOLIUM)., THE EFFECT OF UNDECANOL ON SEXUAL ATTRACTION OF MALE CODLING MOTHS TO SYNTHETIC SEX PHEROMONE & VIRGIN FEMALES IN TRAPS WAS STUDIED. IN LAB TESTS OF NORMAL ALCOHOLS, ONLY UNDECANOL SHOWED SIGNIFICANT INHIBITION. IN FIELD TESTS UNDECANOL REQUIRED ABOUT 20 MG, TRAP., FOLIAR SPRAYS OF UNDECANOL INCR BRANCHING IN SOME CULTIVARS OF EUPHORBIA PULCHERRIMA COMPARED TO UNPINCHED CONTROLS, BUT DID NOT INCR BRANCHING COMPARED TO MANUALLY PINCHED PLANTS. PLANTS MARKETABLY UNACCEPTABLE., 1-UNDECANOL @ 0.16-0.32 MOLAR SPRAYED ON TOBACCO NICOTIANA ACTIVELY KILLED OR INHIBITED AXILLARY & TERMINAL BUD GROWTH. WITHOUT SURFACANT, C11 ALCOHOLS EXHIBITED NONSELECTIVE TISSUE KILL..

PubChem Public Data

Public-database records for Undecyl alcohol (CAS 112-42-5), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary0.2% (3 / 1933)
Reported hazard statementsH315 (18.6%), H319 (95.2%), H400 (81.7%), H411 (22.6%), H320, H401

This chemical does not meet GHS hazard criteria for 0.2% (3 of 1933) of reports.

H315 (18.6%): Causes skin irritation [Warning Skin corrosion/irritation]

Regulatory listings

Regulatory & Food ContactEU Flavoring substances
FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
Flavoring Agents
FLAVOURING_AGENT: Flavouring Agent
Mandarin
No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary0.2% (3 / 1933)

Physical description and handling notes

  • 1-undecanol appears as a water-white liquid with a mild odor. Flash point 250 °F. Slightly soluble in water. Considered a marine pollutant by DOT. Immediate steps should be taken to limit its spread to the environment. As a liquid it can easily penetrate the soil and contaminate groundwater or streams. Mildly irritating to both the eyes and skin.
  • Liquid; CBI
  • Colorless liquid with a citrus odor; [Hawley]
  • Colorless liquid; mp = 15.9 deg C; [ICSC]
  • Liquid
  • COLOURLESS LIQUID.

Reported physical properties

沸点473 °F at 760 mmHg (USCG, 1999)
沸点243 °C at 760 mm Hg
沸点146.00 °C. @ 30.00 mm Hg
沸点245 °C
沸点146 °C (30 mm Hg)
熔点60.6 °F (USCG, 1999)
熔点19 °C
熔点15.9 °C
闪点200 °F (USCG, 1999)
闪点93.3 °C

How this substance is indexed

CAS Registry Number112-42-5
PubChem CID8184
分子式C11H24O
分子量172.18 g/mol
IUPAC 名称undecan-1-ol
InChIKeyKJIOQYGWTQBHNH-UHFFFAOYSA-N
UNII(FDA)06MJ0P28T3
ChEBI 编号CHEBI:87499
FEMA 编号3097
JECFA 编号106

Documented uses

  • Used as a synthetic flavoring for food and in perfumes; [HSDB]
  • Used as intermediate for linear phthalate plasticizers and detergent alcohol ethoxylates; [HSDB]
  • CHEM INT FOR DIUNDECYL PHTHALATE
  • CHEM INT FOR LINEAR PHTHALATE PLASTICIZERS-AS C7-C11 MIXT
  • CHEM INT FOR DETERGENT ALCOHOL ETHOXYLATES-AS C9-C11 MIXT
  • EPA Safer Chemical Functional Use Classes -> Solvents

Names this substance appears under

1-UNDECANOL; Undecan-1-ol; Undecyl alcohol; Undecanol; 1-Hendecanol; Hendecyl alcohol; Tip-Nip; 1-Undecyl alcohol; Decyl carbinol; n-Undecan-1-ol; Alcohol C-11; C11 alcohol; Neodol 1; Alcohol, undecyl; Undecanol-(1); Alcohol C11

Computed molecular descriptors

分子量172.31
XLogP34.6
氢键供体数1
氢键受体数1
可旋转键数9
精确质量172.182715385
单同位素质量172.182715385
拓扑极性表面积20.2
重原子数12
形式电荷0

Database abstract

Undecyl alcohol is identified by CAS 112-42-5, molecular formula C11H24O and molecular weight 172.18 g/mol. UNII 06MJ0P28T3; ChEBI 87499; InChIKey KJIOQYGWTQBHNH-UHFFFAOYSA-N. 沸点: 473 °F at 760 mmHg (USCG, 1999); 沸点: 243 °C at 760 mm Hg; 沸点: 146.00 °C. @ 30.00 mm Hg.

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

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