2,4-PENTANEDIOL

Modify Date: 2026-06-30 16:22:19

2,4-PENTANEDIOL Structure
2,4-PENTANEDIOL structure
Common Name 2,4-PENTANEDIOL
CAS Number 625-69-4 Molecular Weight 104.148
Density 1.0±0.1 g/cm3 Boiling Point 199.5±0.0 °C at 760 mmHg
Molecular Formula C5H12O2 Melting Point N/A
MSDS Chinese USA Flash Point 101.7±0.0 °C

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 2,4-Pentanediol
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.0±0.1 g/cm3
Boiling Point 199.5±0.0 °C at 760 mmHg
Molecular Formula C5H12O2
Molecular Weight 104.148
Flash Point 101.7±0.0 °C
Exact Mass 104.083733
PSA 40.46000
LogP -0.34
Vapour Pressure 0.1±0.8 mmHg at 25°C
Index of Refraction 1.441
InChIKey GTCCGKPBSJZVRZ-UHFFFAOYSA-N
SMILES CC(O)CC(C)O

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SA0490000
CHEMICAL NAME :
2,4-Pentanediol
CAS REGISTRY NUMBER :
625-69-4
LAST UPDATED :
199806
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C5-H12-O2
MOLECULAR WEIGHT :
104.17
WISWESSER LINE NOTATION :
QY&1YQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,209,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
6860 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 10,61,1954
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5792 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 45,669,1956
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
14100 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 10,61,1954 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M0865 No. of Facilities: 379 (estimated) No. of Industries: 12 No. of Occupations: 12 No. of Employees: 3899 (estimated)

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Personal Protective Equipment Eyeshields;Gloves
Safety Phrases 24/25
RIDADR NONH for all modes of transport
WGK Germany 2
RTECS SA0490000

 Articles5

More Articles

This table lists relevant public references with title, journal and publication metadata for this compound.

Brønsted acid catalyzed asymmetric reduction of ketones and acyl silanes using chiral anti-pentane-2,4-diol.

Org. Lett. 12(10) , 2294-7, (2010)

Ketones and acyl silanes were reduced to the corresponding alcohols by a simple procedure employing anti-1,3-diol and a catalytic amount (5 mol %) of 2,4-dinitrobenzenesulfonic acid in benzene at refl...

Highly efficient synthesis of enantiopure diacetylated C(2)-symmetric diols by ruthenium- and enzyme-catalyzed dynamic kinetic asymmetric transformation (DYKAT).

Chemistry 12 , 6053, (2006)

Highly efficient synthesis of enantiopure diacetates of 2,4-pentanediol and 2,5-hexanediol starting from commercially available mixtures of the diols (dl/meso approximately 1:1) has been realized by c...

2,4-Pentanediolate as an alkoxide/diketonate "hybrid" ligand and the formation of aluminum and zirconium derivatives.

Inorg. Chem. 50(23) , 12126-32, (2011)

When 2,4-pentanediol (2,4-H(2)pd) is deprotonated, the resulting dianion (2,4-pd) serves as a type of "hybrid" ligand, i.e., an alkoxide that possesses structural features of a β-diketonate. 2,4-Penta...

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

2,4-PENTANEDIOL
pentane-2,4-diol
Isoamylene alcohol
Pentanediol-2,4
2,4-Dihydroxypentan
MFCD00004549
Pentan-2,4-diol
EINECS 210-907-5
dl-2,4-Pentanediol
2,4-Amylene glycol
2,4-PENTANDIOL
2,4-pentane diol

 2,4-PENTANEDIOL | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the safety information for 2,4-Pentanediol?
A: Safety information for 2,4-Pentanediol: 24/25.
Q: What is the English name of 2,4-Pentanediol?
A: The English name of 2,4-Pentanediol is 2,4-Pentanediol.
Q: What is the InChIKey of 2,4-Pentanediol?
A: InChIKey of 2,4-Pentanediol is GTCCGKPBSJZVRZ-UHFFFAOYSA-N.
Q: What is the molecular formula of 2,4-Pentanediol?
A: Molecular formula of 2,4-Pentanediol is C5H12O2.
Q: What is the boiling point of 2,4-Pentanediol?
A: Boiling point of 2,4-Pentanediol is 199.5±0.0 °C at 760 mmHg.
Q: What is the CAS number of 2,4-Pentanediol?
A: CAS number of 2,4-Pentanediol is 625-69-4.
Q: What English synonyms does 2,4-Pentanediol have?
A: English synonyms of 2,4-Pentanediol: 2,4-PENTANEDIOL, pentane-2,4-diol, Isoamylene alcohol, Pentanediol-2,4, 2,4-Dihydroxypentan, MFCD00004549, Pentan-2,4-diol, EINECS 210-907-5, dl-2,4-Pentanediol, 2,4-Amylene glycol, 2,4-PENTANDIOL, 2,4-pentane diol.
Q: What is the LogP of 2,4-Pentanediol?
A: LogP of 2,4-Pentanediol is -0.34.
Q: What is the SMILES notation of 2,4-Pentanediol?
A: SMILES notation of 2,4-Pentanediol is CC(O)CC(C)O.
Q: What is the polar surface area (PSA) of 2,4-Pentanediol?
A: Polar surface area (PSA) of 2,4-Pentanediol is 40.46000.

 2,4-PENTANEDIOLfactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
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