Isotridecan-1-ol

HCID 33865CAS 27458-92-0
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)CCCCCCCCCCO
InChIKey
XUJLWPFSUCHPQL-UHFFFAOYSA-N
Molecular formula
C13H28O
Average molar mass
200.36 g/mol
Monoisotopic mass
200.21401551

Names & identifiers

Preferred name
Isotridecan-1-ol
IUPAC
11-methyldodecan-1-ol
English name
11-methyldodecanol
Molecular formula
C13H28O
Molecular weight
200.36

Names & synonyms

Isotridecan-1-olRefChem:15006811-MethyldodecanolIsotridecanol11-methyldodecan-1-olISOTRIDECYL ALCOHOL85763-57-127458-92-0Iso-Tridecyl-alcohol11-Methyl-1-dodecanolIsotridecanol-VX3T72M5SG
Show more names
Alcohols, C11-14-isoalcohols, C13-rich11-Methyl-1-dodecanol;1-Dodecanol, 11-methyl-FIXATEUR ITCEINECS 248-469-2UNII-VX3T72M5SGEINECS 288-581-9EC 248-469-2

Database identifiers

CAS
27458-92-0、68526-86-3、85763-57-1
PubChem CID
33865
DTXSID
DTXSID7058676
ChEBI
CHEBI:77438
UNII
VX3T72M5SG
EC Number
248-469-2、288-581-9
Nikkaji
J94.650H

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
10
Heavy atoms
14

Experimental & physicochemical properties

Physical DescriptionLiquid

Physicochemical properties

Boiling point
86 · 86-88 °C(Press: 0.2 Torr)
Density
0.831 · 0.831±0.06 g/cm3(Predicted)
storage temp.
Room Temperature, under inert atmosphere
solubility
Chloroform (Slightly), Methanol (Slightly)
pka
15.2 · 15.20±0.10(Predicted)
form
Solid

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 3.5% (178 of 5060) of reports.

Warning

H315 (87.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H400 (95.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (92.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5060 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 178 of 5060 reports by companies.；There are 14 notifications provided by 4882 of 5060 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 4 items

Chemical: Isotridecanol

Isotridecanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Isotridecanol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 30-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/2154

Isotridecanol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (87.6%)；Aquatic Acute 1 (95.3%)；Aquatic Chronic 1 (92.1%)

Regulatory information

Regulatory Information · 4 items

Chemical: Isotridecanol

Isotridecanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Isotridecanol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 30-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/2154

Isotridecanol: Does not have an individual approval but may be used under an appropriate group standard

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 5,000,000 - <10,000,000 lb；2022: 5,000,000 - <10,000,000 lb；2021: 5,000,000 - <10,000,000 lb；2020: 5,000,000 - <10,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesSurfactant (surface active agent)；Lubricating agent；Intermediate
Household ProductsInformation on 2 consumer products that contain Isotridecanol in the following categories is provided:；• Inside the Home
Use ClassificationFragrance Ingredients
General Manufacturing Information · 2 items

Petrochemical Manufacturing；Wholesale and Retail Trade；Soap, Cleaning Compound, and Toilet Preparation Manufacturing；Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

Isotridecanol: ACTIVE

Applications

Uses11-Methyldodecanol in one of the Me-substituted dedecanols tested for growth-inhibitory action against 5 virulent strains of human Mycobacterium tuberculosis.

Upstream & downstream products

Suppliers14 total

Syntechem Co.,Ltd[email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
Dalian Ruiying Technology Co., Ltd.+86-0411-86907150 +86-15940963210 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]

Additional notes

DefinitionChEBI: 11-methyldodecan-1-ol is a long-chain fatty alcohol that is dodecan-1-ol bearing a methyl substituent at position 11. It is a long-chain primary fatty alcohol and a fatty alcohol 13:0.

Related reactions

8 records
New reaction record

Linked notes

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