1-UNDECANOL (CAS 112-42-5) — formula C11H24O, molecular weight 172.31; category organic chemicals.
| CAS Number | 112-42-5 |
|---|---|
| Molecular Formula | C11H24O |
| Molecular Weight | 172.31 |
| Melting Point | 60.6 °F (USCG, 1999) |
| Boiling Point | 473 °F at 760 mmHg (USCG, 1999) |
| LogP | 4.6 |
| 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. |
| Category | Organic Chemicals |
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..
1-UNDECANOL is a carbon-based organic compound with CAS registry number 112-42-5 and molecular formula C11H24O (molecular weight 172.31), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 112-42-5
Its molecular formula C11H24O comprises 11 C, 24 H, 1 O atoms.
Also known as: 1-UNDECANOL · 十一烷醇 · Undecyl alcohol
Category: organic chemicals
The CAS registry number of 1-UNDECANOL is 112-42-5.
Molecular formula C11H24O, molecular weight 172.31.
It is also registered under: 1-UNDECANOL, 十一烷醇, 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..
Category: Organic Chemicals.
Independent reference data for 1-UNDECANOL (CAS 112-42-5), compiled from public chemistry databases.
| CAS Registry Number | 112-42-5 |
|---|---|
| PubChem CID | 8184 |
| Molecular formula | C11H24O |
| Molecular weight | 172.18 g/mol |
| IUPAC name | undecan-1-ol |
| InChIKey | KJIOQYGWTQBHNH-UHFFFAOYSA-N |
| UNII (FDA) | 06MJ0P28T3 |
| ChEBI ID | CHEBI:87499 |
| FEMA number | 3097 |
| JECFA number | 106 |
| Molecular Weight | 172.31 |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 9 |
| Exact Mass | 172.182715385 |
| Monoisotopic Mass | 172.182715385 |
| Topological Polar Surface Area | 20.2 |
| Heavy Atom Count | 12 |
| Boiling Point | 473 °F at 760 mmHg (USCG, 1999) |
|---|---|
| Boiling Point | 243 °C at 760 mm Hg |
| Boiling Point | 146.00 °C. @ 30.00 mm Hg |
| Boiling Point | 245 °C |
| Boiling Point | 146 °C (30 mm Hg) |
| Melting Point | 60.6 °F (USCG, 1999) |
| Melting Point | 19 °C |
| Melting Point | 15.9 °C |
| Flash Point | 200 °F (USCG, 1999) |
| Flash Point | 93.3 °C |
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
| Regulatory & Food Contact | EU 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 summary | 0.2% (3 / 1933) |
| GHS notification summary | 0.2% (3 / 1933) |
|---|---|
| Reported hazard statements | H315 (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]
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. Boiling Point: 473 °F at 760 mmHg (USCG, 1999); Boiling Point: 243 °C at 760 mm Hg; Boiling Point: 146.00 °C. @ 30.00 mm Hg.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 十一烷醇