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

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)

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

No incident reports available

Emergency Response Guidebook

No guides available

At sea emergency guide