Isodecanol

HCID 32898CAS 25339-17-7

Basic information

Standard SMILES
CC(C)CCCCCCCO
InChIKey
PLLBRTOLHQQAQQ-UHFFFAOYSA-N
Molecular formula
C10H22O
Average molar mass
158.28 g/mol
Monoisotopic mass
158.16706532

Overview

Isodecyl alcohol is a colorless liquid with a mild alcohol odor. Floats on water. (USCG, 1999)

Names & identifiers

Preferred name
Isodecanol
IUPAC
8-methylnonan-1-ol
English name
Isodecanol
Molecular formula
C10H22O
Molecular weight
158.28

Names & synonyms

Isodecanol25339-17-7ISODECYL ALCOHOLExxal 103160X491M7RefChem:923673DTXSID4027864246-869-18-methylnonan-1-ol8-methyl-1-nonanol8-Methylnonanol55505-26-5
Show more names
8-Methylnonane-1-olDECANOL MIXTURE OF ISOMERSisodecylIsodecanoIsodesyl alcoholDECANOL-ISOMERENGEMISCH
1-Nonanol, 8-methyl-8-Methyl-1-nonyl AlcoholMFCD00044085iso-DecylalcoholHSDB 616EINECS 246-869-1UNII-3160X491M78-Methyl-nonan-1-ol

Database identifiers

CAS
25339-17-7、55505-26-5、68551-08-6
PubChem CID
32898
DTXSID
DTXSID3058660
UNII
3160X491M7
EC Number
246-869-1
Nikkaji
J71.269H

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
7
Heavy atoms
11

Experimental & physicochemical properties

SolventsSolvents -> Alcohols (<C12)
SpringerMaterials PropertiesChemical shift
FragrancesFragrance Ingredient (Isodecyl alcohol) -> IFRA transparency List
OdorWEAK ALCOHOLIC
Density · 3 items

0.841 at 68 °F (USCG, 1999) - Less dense than water; will float

0.8395

Relative density (water = 1): 0.84

Color/FormColorless liquid

Physicochemical properties

Melting point
-60 °C · -60°C
Boiling point
215 · 215-225 °C
Density
0.838 g/mL · 0.838 g/mL at 20 °C
refractive index
20 · n20/D 1.440
Flash point
95 °C · 95 °C
storage temp.
Refrigerator

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 20.3% (95 of 469) of reports.

Warning

H315 (60.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 469 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

Hazard information

Regulatory Information · 3 items

Chemical: Isodecanol

Isodecanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Isodecanol 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)

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

DOT LabelClass 9
Fire Hazards · 2 items

Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:

Combustible.

Fire PotentialCombustible when exposed to heat or flame.
Health HazardsDirect contact with skin can produce irritation. (USCG, 1999)
Hazards Summary · 1 item

A skin, eye, and respiratory tract irritant; May cause CNS depression; Defats the skin; [ICSC] Higher alcohols are not highly toxic in the industrial setting; Can cause liver injury, somnolence, and respiratory depression in experimental animals; Can cause smarting of the skin; Extended exposure may cause second degree burns; [HSDB] A skin irritant; [CAMEO] Causes hepatitis in feeding studies of rats; [RTECS] Causes malformations at doses that are maternally toxic; [REPROTOX] An eye irritant; [MSDSonline]

Safety & protection

Fire Fighting · 2 items

Fire Extinguishing Agents Not to Be Used: Water or foam may cause frothing

Use powder, carbon dioxide, foam. Water may be ineffective.

First Aid Measures · 4 items

Fresh air, rest. Refer for medical attention.

Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention .

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Rest. Refer for medical attention .

First AidWash affected area with water for 15 min. (USCG, 1999)
Safe StorageSeparated from strong oxidants.
Fire Fighting ProceduresExtinguish with dry chemical, alcohol foam, or carbon dioxide. Water may be ineffective on fire.
Storage Conditions · 1 item

Materials which are toxic as stored or which can decompose into toxic components ... should be stored in a cool well ventilated place, out of the direct rays of the sun, away from areas of high fire hazard, and should be periodically inspected. Incompatible materials should be isolated ...

Toxicology

Ecotoxicity Values · 2 items

LC50 Artemia salina (Brine shrimp) 3.4 mg/L/24 hr; static /formulated product/

LC50 Nitocra spinipes (Harpacticoid copepod) 1.3 mg/L/96 hr (95% confidence limit: 1.0-1.7 mg/L); static /formulated product/

Environmental Fate · 3 items

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 80(SRC), determined from a structure estimation method(2), indicates that isodecyl alcohol is expected to have high mobility in soil(SRC). Volatilization of isodecyl alcohol from moist soil surfaces may be an important fate process(SRC) given an estimated Henry's Law constant of 5.5X10-5 atm-cu m/mole(SRC), using a fragment constant estimation method(3). Isodecyl alcohol is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.1X10-2 mm Hg(SRC), determined from a fragment constant method(4). Theoretical BOD values of 14-24% in 5 days(5) indicate that biodegradation may be an important environmental fate process in soil(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 80(SRC), determined from a structure estimation method(2), indicates that isodecyl alcohol is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces may be expected(3) based upon an estimated Henry's Law constant of 5.5X10-5 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 24 hours and 11 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 145(SRC), from an estimated log Kow of 3.71(6), and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is high(SRC). Theoretical BOD values of 14-24% in 5 days(8) indicate that biodegradation may be an important environmental fate process in water.

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), isodecyl alcohol, which has an estimated vapor pressure of 2.1X10-2 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase isodecyl alcohol is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 25 hours(SRC), calculated from its rate constant of 1.5X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3).

Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure RoutesThe substance can be absorbed into the body by inhalation, through the skin and by ingestion.
Signs and Symptoms · 4 items

Cough. Dizziness. Lethargy. Headache. Nausea. Sore throat.

Dry skin. Redness.

Redness. Pain.

Diarrhoea. Vomiting. Further see Inhalation.

ICSC Environmental DataThis substance may be hazardous to the environment. Special attention should be given to fish.

Regulatory information

Atmospheric Standards · 1 item

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Isodecyl alcohol is produced, as an intermediate or a final product, by process units covered under this subpart.

Safety data

tsca
TSCA listed
rtecs
NR0960000
ridadr
3082
risk_code
36
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Uses & manufacturing

Uses · 5 items

Used as an antifoaming agent in textile processing, in synthetic lubricants, in uranium refining, as a specialty solvent, and to make plasticizers; [HSDB]

Textiles (Fiber & Fabric Manufacturing) [Category: Industry]

Production of plasticizers

Antifoaming agent in textile processing

Chemical intermediate for the plasticizer, diisodecyl phthalate; ingredient in synthetic lubricants; agent in uranium refining; specialty solvent; antifoaming agent in textile processing.

ImpuritiesBy-products of propylene-butylene polymerization/to produce isodecyl alcohol/are isooctyl and isononyl alcohols
U.S. Exports · 3 items

(1972) No Data

(1975) No Data

(1986) No Data

U.S. Imports · 3 items

(1972) No Data

(1975) No Data

(1984) 7.48X10+9 g/DECYL ALCOHOLS/

U.S. Production · 6 items

2023: <25,000 lb

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).

(1972) 6.8X10+10 GRAMS

(1973) 7.91X10+10 GRAMS

(1980) 59,000 tonnes

For more U.S. Production (Complete) data for ISODECYL ALCOHOL (9 total), please visit the HSDB record page.

Consumption PatternsApprox 70% as a chem int for the plasticizer, diisodecyl phthalate; approx 30% for all other uses (1972)
Applications · 3 items

UsesAntifoaming agent in textile processing.

UsesIsodecanol is a useful component for anti-wear lubricating oil.

General DescriptionColorless liquid with a mild alcohol odor. Floats on water.

Upstream & downstream products

Downstream products

Suppliers26 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]

Additional notes

DefinitionMixed isomers.

Related reactions

32 records

Linked notes

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