1,5-Pentanediol

Modify Date: 2026-07-12 06:27:55

1,5-Pentanediol Structure
1,5-Pentanediol structure
 Common Name 1,5-Pentanediol
CAS Number 111-29-5 Molecular Weight 104.148
Density 1.0±0.1 g/cm3 Boiling Point 239.0±0.0 °C at 760 mmHg
Molecular Formula C5H12O2 Melting Point -18 °C
MSDS Chinese USA Flash Point 129.4±0.0 °C

 Names

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

Name 1,5-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 239.0±0.0 °C at 760 mmHg
Melting Point -18 °C
Molecular Formula C5H12O2
Molecular Weight 104.148
Flash Point 129.4±0.0 °C
Exact Mass 104.083733
PSA 40.46000
LogP -0.60
Vapour Pressure 0.0±1.0 mmHg at 25°C
Index of Refraction 1.446
InChIKey ALQSHHUCVQOPAS-UHFFFAOYSA-N
SMILES OCCCCCO
Water Solubility Miscible

 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 :
SA0480000
CHEMICAL NAME :
1,5-Pentanediol
CAS REGISTRY NUMBER :
111-29-5
BEILSTEIN REFERENCE NO. :
1560130
LAST UPDATED :
199712
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C5-H12-O2
MOLECULAR WEIGHT :
104.17
WISWESSER LINE NOTATION :
Q5Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 5/22/1959 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JAFCAU Journal of Agricultural and Food Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1953- Volume(issue)/page/year: 23,418,1975
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6300 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - excitement Behavioral - muscle weakness
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 38(9),14,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 49,385,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
6300 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - excitement Behavioral - muscle weakness
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 38(9),14,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>20 mL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 5/22/1959
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
4600 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - excitement Behavioral - muscle weakness
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 38(9),14,1973 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M1682 No. of Facilities: 1535 (estimated) No. of Industries: 5 No. of Occupations: 24 No. of Employees: 61332 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M1682 No. of Facilities: 567 (estimated) No. of Industries: 4 No. of Occupations: 4 No. of Employees: 1500 (estimated) No. of Female Employees: 516 (estimated)

 Safety Information

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

Personal Protective Equipment Eyeshields;Gloves
Hazard Codes Xn:Harmful;
Safety Phrases S24/25
RIDADR NONH for all modes of transport
WGK Germany 1
RTECS SA0480000
HS Code 29053980

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2905399090
Summary 2905399090 other diols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0%

 Articles27

More Articles

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

Acetonitrile adduct formation as a sensitive means for simple alcohol detection by LC-MS.

J. Am. Soc. Mass Spectrom. 25(11) , 1987-90, (2014)

Simple alcohols formed protonated acetonitrile adducts containing up to two acetonitrile molecules when analyzed by ESI or APCI in the presence of acetonitrile in the solvent. These acetonitrile adduc...

Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins

Bioorg. Med. Chem. 17 , 896-904, (2009)

This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...

Precision synthesis: designing hot spots over hot spots via selective gold deposition on silver octahedra edges.

Small 10(23) , 4940-50, (2014)

A major challenge in plasmonic hot spot fabrication is to efficiently increase the hot spot volumes on single metal nanoparticles to generate stronger signals in plasmon-enhanced applications. Here, t...

 Synonyms

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

1,5-Dihydroxypentane
1,5-Pentanediol
EINECS 203-854-4
MFCD00002978
Pentane-1,5-diol
Pentamethylene Glycol
1,5 Pentanediol

 1,5-Pentanediol | FAQ

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

Q: What are the downstream products of 1,5-Pentanediol?
A: Related downstream products(CAS) of 1,5-Pentanediol: 106111-49-3;100847-50-5;1011-61-6;111917-09-0;42856-43-9;34626-51-2;111-24-0;4096-20-2;40447-26-5.
Q: What is the molecular formula of 1,5-Pentanediol?
A: Molecular formula of 1,5-Pentanediol is C5H12O2.
Q: What is the InChIKey of 1,5-Pentanediol?
A: InChIKey of 1,5-Pentanediol is ALQSHHUCVQOPAS-UHFFFAOYSA-N.
Q: What are the upstream materials of 1,5-Pentanediol?
A: Related upstream materials(CAS) of 1,5-Pentanediol: 110-94-1;124-04-9;110-15-6;1119-40-0;111-30-8;542-28-9;106-69-4;98-01-1;818-38-2;4454-05-1.
Q: What is the boiling point of 1,5-Pentanediol?
A: Boiling point of 1,5-Pentanediol is 239.0±0.0 °C at 760 mmHg.
Q: What is the LogP of 1,5-Pentanediol?
A: LogP of 1,5-Pentanediol is -0.60.
Q: How is the water solubility of 1,5-Pentanediol?
A: Water solubility of 1,5-Pentanediol: Miscible.
Q: What English synonyms does 1,5-Pentanediol have?
A: English synonyms of 1,5-Pentanediol: 1,5-Dihydroxypentane, 1,5-Pentanediol, EINECS 203-854-4, MFCD00002978, Pentane-1,5-diol, Pentamethylene Glycol, 1,5 Pentanediol.
Q: What is the melting point of 1,5-Pentanediol?
A: Melting point of 1,5-Pentanediol is -18 °C.
Q: What is the SMILES notation of 1,5-Pentanediol?
A: SMILES notation of 1,5-Pentanediol is OCCCCCO.

 1,5-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.
Henan Tianfu Chemical Co., Ltd.
Zhongshan Xingrui Chemical Co. , Ltd.
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