2,2,4-Trimethyl-1,3-Pentanediol-1-Isobutyrate

CAS Number: 25265-77-4

Also known as: Texanol, 2,2,4-Trimethyl-1,3-Pentanediol Monoisobutyrate, Propanoic Acid, 2-Methyl-, 3-Hydroxy-2,2,4-Trimethylpentyl Ester, Propanoic Acid, 2-Methyl-, Monoester With 2,2,4-Trimethyl-1,3-Pentanediol, 2,2,4-Trimethyl-1,3-Pentanediol-1-Isobutyrate
Information on chemical

Information on chemical

External resources

CAMEO Chemical Database
WISER Substance List

Description

CAS number 25265-77-4
Formula C12H24O3

Physical chemical data

Physical State (25°C) Liquid
Density (kg/m3)
957.7 [Kg/m³] at a temperature of 5°C
954.2 [Kg/m³] at a temperature of 10°C
947.7 [Kg/m³] at a temperature of 20°C
Kinematic viscosity (cSt)
45.625 [cSt] at a temperature of 5°C
34.972 [cSt] at a temperature of 10°C
19.996 [cSt] at a temperature of 20°C
Molar mass (g/mol) 216.32
Solubility (g/L)
858 [g/L] at a temperature of 25°C and salinity of 0‰
970 [g/L] at a temperature of 20°C and salinity of 0‰
870 [g/L] at a temperature of 20°C and salinity of 5‰
660 [g/L] at a temperature of 20°C and salinity of 30‰
Boiling Point (°C) 244
Melting Point (°C) -50
Surface tension (mN/m)
28.6 [mN/m] at a temperature of 22°C
29.46 [mN/m] at a temperature of 6.2°C
28.73 [mN/m] at a temperature of 12.4°C
28.12 [mN/m] at a temperature of 19.5°C
Flash Point (Pensky-Martens closed cup) (°C) 122
Flash Point (Cleveland open cup) (°C) 120
Henry's constant (mol/(m³·Pa)) 0.01

Behaviour at sea

Log kow 3.47
Log koc 1.47
Biodegradation in estuary environment (Half-life) (days) 16.5

Additional data

MARPOL pollution category
Category Description
Y Noxious Liquid Substances which, if discharged into the sea from tank cleaning or deballasting operations, are deemed to present a hazard to either marine resources or human health or cause harm to amenities or other legitimate uses of the sea and therefore justify a limitation on the quality and quantity of the discharge into the marine environment.

Transportation data

Reactivity data

GESAMP Hazard profile

Bioaccumulation in logPow (A1A) 3 - ≥3 and <4
Bioaccumulation (A1) 3 - Moderate potential to bioaccumulate
Biodegradation (A2) NR - Not readily biodegradable
Acute aquatic toxicity (B1) (LC/EC/IC50 (mg/l)) 3 - Moderately toxic
Chronic aquatic toxicity (B2) (NOEC (mg/l)) 0 - Negligible
Acute mammalian toxicity by swallowing (C1) (LD50 (mg/kg)) 0 - Negligible
Acute mammalian toxicity by skin penetration (C2) (LD50 (mg/kg)) 0 - Negligible
Acute mammalian toxicity by inhalation (C3) (LC50 (mg/l)) 0 - Negligible
Skin irritation/corrosivity (D1) 2 - Irritating
Eye irritation/corrosivity (D2) 2 - Irritating
Interference with coastal amenities (E2) FE - Floater/Evaporator
Effects on wildlife and bottom habitats (E3) 2 - Is a persistent floater; and/or is moderately acutely toxic; and/or is irritating to skin and/or eyes; and/or has long-term health effects other than carcinogenicity, mutagenicity or reprotoxicity; and/or is highly flammable; and/or is flammable and is a floater with evaporative properties

Human toxicity threshold

Ecotoxicity

Lowest median lethal concentration (LC50) on algae (mg/l) 18.4
Lowest median lethal concentration (LC50) on crustacean (mg/l) > 95
Lowest median lethal concentration (LC50) on fishes (mg/l) 30
Highest no observed effect concentration (NOEC) on algae (mg/l) 3.28
Assessment factor (AF)
10000 on the Short term
Predicted No Effect Concentration (PNEC) (µg/l)
2 [µg/l] on the Short term
Incident reports

Incident reports

No incident reports available

Emergency Response Guidebook

Emergency Response Guidebook

No guides available

At sea emergency guide

At sea emergency guide

No guides available

Decision trees

Decision trees

No decision trees available

No additional data

last modified 2020-12-11T09:57:21+00:00