1-UNDECANOL

Description

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.

Identification

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

Computed Descriptors

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
Formal Charge	0

Physical & Chemical Properties

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

Physical description & 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.

Regulatory Status

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 Hazard Classification

GHS notification summary	0.2% (3 / 1933)
Reported hazard statements	H315 (18.6%), H319 (95.2%), H400 (81.7%), H411 (22.6%), H320, H401

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

Synonyms

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

Frequently Asked Questions

What are the CAS number and molecular formula of Undecyl alcohol?

CAS 112-42-5; molecular formula C11H24O; molecular weight 172.18 g/mol.

What other names is Undecyl alcohol known by?

1-UNDECANOL, Undecan-1-ol, Undecyl alcohol, Undecanol, 1-Hendecanol, Hendecyl alcohol.

What is the regulatory status of Undecyl alcohol?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is Undecyl alcohol classified as hazardous?

0.2% of GHS notifications report no hazard classification (3 of 1933).

What are the key physical properties of Undecyl alcohol?

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.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.