CAS No.111-29-5,1,5-Pentanediol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	111-29-5
Name:	1,5-Pentanediol
Article Data:	215

Formula:	C₅H₁₂O₂
Molecular Weight:	104.149
Synonyms:	1,5-Pentamethylene glycol;NSC 5927;Pentamethylene glycol;Pentylene glycol;a,w-Pentanediol;w-Pentanediol;1,5-Dihydroxypentane;
EINECS:	203-854-4
Density:	0.982 g/cm³
Melting Point:	-18 °C
Boiling Point:	238.999 °C at 760 mmHg
Flash Point:	129.444 °C
Solubility:	miscible in water
Appearance:	clear colorless oily liquid
Hazard Symbols:	Xn
Risk Codes:	Xn:Harmful; "> Xn:Harmful;
Safety:	24/25
PSA:	40.46000
LogP:	0.14130

Synthetic route

: 542-28-9
3,4,5,6-tetrahydro-2H-pyran-2-one

: 111-29-5
1 ,5-pentanediol

Conditions

Conditions	Yield
With trimethoxysilane; lithium methanolate In tetrahydrofuran for 0.5h; Ambient temperature;	100%
With hydrogen In 1,2-dimethoxyethane at 80℃; under 60006 Torr; for 2h; Reagent/catalyst;	87.7%
With sodium tetrahydroborate; C36H30F6N10Ni4O10(2+)*2C2F3O2(1-); zinc(II) chloride In tetrahydrofuran at 45℃; for 12h;	79%

: 500878-72-8
5-[(4-methoxy-phenyl)-diphenyl-methoxy]-pentan-1-ol

: 111-29-5
1 ,5-pentanediol

Conditions

Conditions	Yield
With methanol In chloroform-d1 for 0.25h; UV-irradiation;	100%
With methanol Irradiation;

: 111-30-8
Glutaraldehyde

: 111-29-5
1 ,5-pentanediol

Conditions

Conditions	Yield
With hydrogen In water at 120℃; under 150015 Torr; Compressed gas(es);	98%
With methanol; dmap; aluminum oxide for 0.133333h; microwave irradiation;	90%
With sodium tetrahydroborate In methanol at 20℃; for 1h;

: 453-44-1
1,5-bis-trifluoroacetoxy-pentane

: 111-29-5
1 ,5-pentanediol

Conditions

Conditions	Yield
With silica gel; triethylamine In diethyl ether; Petroleum ether Substitution; Detrifluoroacetylation;	96%

: 132273-31-5
(5-Benzyloxy-pentyloxy)-diethyl-isopropyl-silane

: 111-29-5
1 ,5-pentanediol

Conditions

Conditions	Yield
With hydrogen; palladium dihydroxide In methanol at 26℃; for 6h;	93%

: 1119-40-0
Dimethyl glutarate

: 111-29-5
1 ,5-pentanediol

Conditions

Conditions	Yield
With hydrogen; sodium methylate; RuCl2(L-1) In tetrahydrofuran at 100℃; under 37503.8 Torr; for 2.5h; Product distribution / selectivity;	93%
With hydrogen; sodium methylate; dichloro-bis-[2-(diphenylphosphino)ethylamine]ruthenium In tetrahydrofuran at 100℃; under 37503.8 Torr; for 2.5h; Product distribution / selectivity;	72%
With Ag/SiO2; hydrogen In methanol at 99.84℃; under 750.075 Torr; for 12h; Microreactor; chemoselective reaction;	100 %Chromat.

: (5-benzyloxy-pentyloxy)-tert-butyl-dimethyl-silane

: 111-29-5
1 ,5-pentanediol

Conditions

Conditions	Yield
With hydrogen; palladium dihydroxide In methanol under 760 Torr; for 2h; Ambient temperature;	91%

: 97-99-4
Tetrahydrofurfuryl alcohol

: 111-29-5
1 ,5-pentanediol

Conditions

Conditions	Yield
With hydrogen In water at 100℃; under 60006 Torr; for 24h; Temperature; Reagent/catalyst; Pressure; Time;	90.2%
With hydrogen In ethylenediamine at 100℃; under 60006 Torr; for 2h; Reagent/catalyst; Solvent; Temperature;	64.6%
With hydrogen at 285℃; under 112511 - 187519 Torr; for 5h; Reagent/catalyst; Temperature; Pressure; Time; Concentration; Inert atmosphere; Autoclave;	57%

: 1-tert-butyldimethylsilyloxy-5-triethylsilyloxypentane

A: 111-29-5
1 ,5-pentanediol

B: 83067-20-3
5-(tert-butyldimethyl-silyloxy)pentan-1-ol

Conditions

Conditions	Yield
With MCM-41 In methanol for 4h; Ambient temperature;	A 2% B 90%
With mesoporous silica MCM-41 In methanol at 20℃; for 4h;	A 2% B 90%

: 110-94-1
1,5-pentanedioic acid

A: 111-29-5
1 ,5-pentanediol

B: 71-41-0
pentan-1-ol

C: 109-52-4
valeric acid

Conditions

Conditions	Yield
With hydrogen In water at 130℃; under 37503.8 Torr; for 12h; Pressure; Reagent/catalyst; Autoclave;	A 90% B 4% C 5%

...Expand

Raw Materials

542-28-9

97-99-4

108-55-4

1191-25-9

637-88-7

4221-03-8

37019-50-4

110-15-6

Downstream Products

2873-74-7

34626-51-2

694-54-2

111-30-8

226950-27-2

183506-66-3

4541-15-5

628-76-2

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Consensus Reports

1,5-PENTANEDIOL is reported in EPA TSCA Inventory.

Specification

1. Introduction of 1,5-Pentanediol
1,5-Pentanediol with the CAS registry number of 111-29-5, is also named as 1,5-Dihydroxypentane. The product's categories are Alpha,omega-Alkanediols; Alpha,omega-Bifunctional Alkanes; Monofunctional & Alpha,omega-Bifunctional Alkanes. Besides, it is clear colorless oily liquid, which should be stored in tightly closed containers in a cool, dry place away from sources of ignition. When you are using this chemical, please avoid contact with skin and eyes. In addition, its molecular formula is C₅H₁₂O₂ and molecular weight is 104.15.

2. Properties of 1,5-Pentanediol
The other characteristics of 1,5-Pentanediol can be summarized as: (1)EINECS: 203-854-4; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 11.833; (6)ACD/KOC (pH 7.4): 11.833; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.446; (11)Molar Refractivity: 28.283 cm³; (12)Molar Volume: 106.081 cm³; (13)Surface Tension: 38.673 dyne/cm; (14)Density: 0.982 g/cm³; (15)Flash Point: 129.444 °C; (16)Melting Point: -18 °C; (17)Enthalpy of Vaporization: 55.306 kJ/mol; (18)Boiling Point: 238.999 °C at 760 mmHg; (19)Vapour Pressure: 0.007 mmHg at 25 °C.

3. Structure Descriptors of 1,5-Pentanediol
(1)SMILES: C(CCO)CCO
(2)InChI: InChI=1/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2
(3)InChIKey: ALQSHHUCVQOPAS-UHFFFAOYAE

4. Toxicity of 1,5-Pentanediol

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	oral	4600mg/kg (4600mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT BEHAVIORAL: MUSCLE WEAKNESS	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 38(9), Pg. 14, 1973.
mouse	LD50	intraperitoneal	2250mg/kg (2250mg/kg)		Toxicology and Applied Pharmacology. Vol. 49, Pg. 385, 1979.
mouse	LD50	oral	6300mg/kg (6300mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT BEHAVIORAL: MUSCLE WEAKNESS	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 38(9), Pg. 14, 1973.
rabbit	LD50	oral	6300mg/kg (6300mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT BEHAVIORAL: MUSCLE WEAKNESS	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 38(9), Pg. 14, 1973.
rabbit	LD50	skin	> 20mL/kg (20mL/kg)		Union Carbide Data Sheet. Vol. 5/22/1959,
rat	LD50	oral	2gm/kg (2000mg/kg)		Journal of Agricultural and Food Chemistry. Vol. 23, Pg. 418, 1975.

5. Preparation of 1,5-Pentanediol
1,5-Pentanediol can be prepared by hydrogenation of Glutaric acid and its derivatives. It also can be produced by Pentanedioic acid diethyl ester.

This reaction needs LiAlH₄. The yield is 61 %.

6. Use of 1,5-Pentanediol
1,5-Pentanediol can be used as plasticizer. It also can form polyesters that are used as emulsifying agents and resin intermediates. Similarly, it can react with 3,4-Dihydro-2H-pyran to get 5-Tetrahydropyran-2-yloxy-pentan-1-ol.