2-Methyl-2,4-pentanediol supplier

Name
Hexylene Glycol
EINECS 203-489-0
CAS No. 107-41-5
Article Data50
CAS DataBase
Density 0.922 g/cm³
Solubility Soluble in water
Melting Point -40 °C(lit.)
Formula C₆H₁₄O₂
Boiling Point 197.5 °C at 760 mmHg
Molecular Weight 118.176
Flash Point 93.9 °C
Transport Information
Appearance Oily colorless liquid with a mild sweet odor
Safety 26-36
Risk Codes 36/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1,1,3-Trimethyltrimethylenediol;2,4-Dihydroxy-2-methylpentane;Diolane;Hexylene glycol;Isol;NSC 8098;a,a,a'-Trimethyltrimethylene glycol;2-Methyl-2,4-pentanediol;
PSA 40.46000
LogP 0.52820

Synthetic route

: 123-42-2
4-Hydroxy-4-methyl-2-pentanone

: 107-41-5
2-methyl-2,4-pentanediol

Conditions

Conditions	Yield
With hydrogen In water at 120℃; under 7500.75 Torr; for 3h; Reagent/catalyst; Temperature; Pressure; Solvent;	100%
With sodium tetrahydroborate In methanol at 0 - 20℃; for 1h;	83%
With lithium aluminium tetrahydride In tetrahydrofuran at 20℃; for 3h;	53%

: 85272-42-0
2,2-Diisopropyl-4,4,6-trimethyl-[1,3,2]dioxasilinane

: 107-41-5
2-methyl-2,4-pentanediol

Conditions

Conditions	Yield
With hydrogen fluoride In acetonitrile at 25℃; for 0.25h;	95%

: 127392-17-0
7,7,9-Trimethyl-5,8,9,11-tetrahydro-7H-6,10-dioxa-benzocyclononene

: 107-41-5
2-methyl-2,4-pentanediol

Conditions

Conditions	Yield
With hydrogen; palladium hydroxide - carbon In ethanol under 760 Torr;	89%

: 2,4-Bis-(tert-butyl-dimethyl-silanyloxy)-2-methyl-pentane

: 107-41-5
2-methyl-2,4-pentanediol

Conditions

Conditions	Yield
With low-loading and alkylated polystyrene-supported-SO3H In water at 40℃; for 12h;	89%

: 85272-43-1
2,2-Di-tert-butyl-4,4,6-trimethyl-[1,3,2]dioxasilinane

: 107-41-5
2-methyl-2,4-pentanediol

Conditions

Conditions	Yield
With hydrogen fluoride In acetonitrile at 25℃; for 12h;	88%

: 89449-96-7
4-Methoxymethoxy-2-methyl-pentan-2-ol

: 107-41-5
2-methyl-2,4-pentanediol

Conditions

Conditions	Yield
With (i-PrS)BBr In dichloromethane at -78℃;	70%

: 3087-39-6
titanium(IV) tert-butoxide

: 75-07-0
acetaldehyde

A: 107-41-5
2-methyl-2,4-pentanediol

: (2S,6S)-4-Methyl-heptane-2,4,6-triol

Conditions

Conditions	Yield
With lithium perchlorate; MANDELIC ACID at 20℃; for 24h;	A 51% B 8%

...Expand

: 3087-39-6
titanium(IV) tert-butoxide

: 75-07-0
acetaldehyde

A: 107-41-5
2-methyl-2,4-pentanediol

B: (2S,6R)-4-Methyl-heptane-2,4,6-triol

: (2S,6S)-4-Methyl-heptane-2,4,6-triol

Conditions

Conditions	Yield
With lithium perchlorate; MANDELIC ACID at 20℃; for 24h;	A 2% B 43% C 8%

...Expand

: 123-42-2
4-Hydroxy-4-methyl-2-pentanone

A: 107-41-5
2-methyl-2,4-pentanediol

B: 590-36-3
2-methylpentan-2-ol

Conditions

Conditions	Yield
bei der elektrolytischen Reduktion;

: 67-64-1
acetone

A: 107-41-5
2-methyl-2,4-pentanediol

B: 76-09-5
2,3-dimethyl-2,3-butane diol

Conditions

Conditions	Yield
With amalgamated magnesium

: 34761-53-0
2-methyl-3,4-pentadien-2-ol

: 107-41-5
2-methyl-2,4-pentanediol

Conditions

Conditions	Yield
(i) Hg(OAc)2, H2O, (ii) NaBH4; Multistep reaction;

: 18826-95-4, 107-88-0
1.3-butanediol

: 77181-39-6
2,2,4,4,6-Pentamethyl-1,3-dioxa-2-silacyclohexane

A: 107-41-5
2-methyl-2,4-pentanediol

B: 14903-76-5
2,2,4-Trimethyl-1,3-dioxa-2-silacyclohexane

Conditions

Conditions	Yield
boron trifluoride diethyl etherate In 1,4-dioxane at 20℃;	A n/a B 21 % Chromat.

...Expand

: 75-07-0
acetaldehyde

: 115-11-7
isobutene

A: 766-15-4
4,4-dimethyl-1,3-dioxane

B: 5182-37-6
2,4,4,6-tetramethyl-1,3-dioxane

C: 107-41-5
2-methyl-2,4-pentanediol

D: 2568-33-4
3-methyl-butane-1,3-diol

E: 29879-84-3
2,4,4-trimethyl-1,3-dioxane

Conditions

Conditions	Yield
With formaldehyd; sulfuric acid In various solvent(s) at 70℃; for 4.33333h; Product distribution; var. time, steel bomb;	A 5.6 mmol B 8.5 mmol C n/a D n/a E 16.4 mmol

...Expand

: 54942-19-7
4-hydroperoxy 2-methylpentane

A: 108-11-2
Methyl isobutyl carbinol

B: 107-41-5
2-methyl-2,4-pentanediol

C: 111-87-5
octanol

D: 6287-17-8
2-methyl-1,4-pentanediol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride; octane; manganese(II) stearate 1.) 125 deg C, 10 h, 2.) THF, reflux, 1 h; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: furan-2,3,5(4H)-trione pyridine (1:1)

: 67-64-1
acetone

PtO2: PtO2

A: 107-41-5
2-methyl-2,4-pentanediol

B: 67-63-0
isopropyl alcohol

Conditions

Conditions	Yield
pH 11.9.Hydrogenation;

...Expand

: 5182-37-6
2,4,4,6-tetramethyl-1,3-dioxane

A: 107-41-5
2-methyl-2,4-pentanediol

B 4-methoxy-4-methoxy-pentan-2-ol: 4-methoxy-4-methoxy-pentan-2-ol

Conditions

Conditions	Yield
With methanol; sulfuric acid

: 123-42-2
4-Hydroxy-4-methyl-2-pentanone

sodium amalgam: sodium amalgam

: 107-41-5
2-methyl-2,4-pentanediol

: 123-42-2
4-Hydroxy-4-methyl-2-pentanone

copper chromite: copper chromite

A: 108-11-2
Methyl isobutyl carbinol

B: 107-41-5
2-methyl-2,4-pentanediol

C: 67-63-0
isopropyl alcohol

D: 67-64-1
acetone

Conditions

Conditions	Yield
at 150℃; Hydrogenation;

...Expand

: 123-42-2
4-Hydroxy-4-methyl-2-pentanone

nickel: nickel

A: 108-11-2
Methyl isobutyl carbinol

B: 107-41-5
2-methyl-2,4-pentanediol

C: 67-63-0
isopropyl alcohol

D: 67-64-1
acetone

Conditions

Conditions	Yield
Hydrogenation;

...Expand

: 542-10-9
ethylidene diacetate

: 115-11-7
isobutene

: 107-41-5
2-methyl-2,4-pentanediol

Conditions

Conditions	Yield
Stage #1: ethylidene diacetate; isobutene With tin(IV) chloride In nitromethane at -10 - 20℃; for 1h; Addition; Salt formation; Stage #2: With water Hydrolysis; Stage #3: With potassium hydroxide In ethanol for 0.75h; Hydrolysis; Heating;

: C6H13ClMg

A: 107-41-5
2-methyl-2,4-pentanediol

B aqueous KOH-solution: aqueous KOH-solution

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) O2, 2.) aq. H2SO4 / 1.) diethyl ether, -65 deg C 2: 1.) n-octane, manganese stearate, 2.) LiAlH4 / 1.) 125 deg C, 10 h, 2.) THF, reflux, 1 h View Scheme

: 27700-00-1
4,4,6-trimethyl-1,3-dioxane-2-one

: 107-41-5
2-methyl-2,4-pentanediol

Conditions

Conditions	Yield
With potassium carbonate In methanol at 23℃;	9.1 mg

: 107-41-5
2-methyl-2,4-pentanediol

: 94609-22-0
2-benzyloxycarbonyl-3-trifluoromethyl-4-ethyl-5-formylpyrrole

: 594859-48-0
2-benzyloxycarbonyl-3-trifluoromethyl-4-ethyl-5-(4',4',6'-trimethyl-1',3'-dioxane-2'-yl)pyrrole

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In benzene for 1h; Heating;	100%

: 107-41-5
2-methyl-2,4-pentanediol

: 10199-14-1, 23894-82-8
4,4,6-trimethyl-1,3,2-dioxaborinane

Conditions

Conditions	Yield
With dimethylsulfide; borane In dichloromethane at 0 - 25℃;	100%
With dimethylsulfide borane complex In dichloromethane at 0 - 20℃; for 3h;	78%
With borane Ν,Ν-diethylaniline complex; palladium 10% on activated carbon In 1,4-dioxane at 20℃; for 1h; Inert atmosphere;	75%

: 107-41-5
2-methyl-2,4-pentanediol

: [(CH3COCHCOCH3)2Al(μ-OCH(CH3)2)2Al(OCH(CH3)2)2]

: 163462-30-4
[Al2(OCH(CH3)2)2(CH3COCHCOCH3)2(OC(CH3)2CH2CHCH3O)]

Conditions

Conditions	Yield
In benzene byproducts: i-PrOH; moisture free; refluxing; solvent removal; elem. anal.;	100%

: 107-41-5
2-methyl-2,4-pentanediol

: 14814-09-6
3-Mercaptopropyltriethoxysilane

: 3-(2-methyl-2,4-pentanedioxyethoxysilyl)-1-propanethiol

Conditions

Conditions	Yield
toluene-4-sulfonic acid at 33 - 60℃; under 11 Torr; for 2h;	99.2%

: 107-41-5
2-methyl-2,4-pentanediol

: 18162-48-6
tert-butyldimethylsilyl chloride

: 193811-86-8
4-tert-butyldimethylsilanyloxy-2-methyl-2-pentanol

Conditions

Conditions	Yield
With 1H-imidazole In N,N-dimethyl-formamide at 0 - 20℃; for 14h;	99%
With 1H-imidazole In N,N-dimethyl-formamide at 50 - 70℃; for 1.75h;

: 107-41-5
2-methyl-2,4-pentanediol

: 98-88-4
benzoyl chloride

: 56543-20-5
4-hydroxy-4-methylpentan-2-yl benzoate

Conditions

Conditions	Yield
With N,N,N,N,-tetramethylethylenediamine; 4 A molecular sieve In dichloromethane at -78℃; for 2h; Acylation;	99%

: 107-41-5
2-methyl-2,4-pentanediol

: [Ti(N-phenylsalicylideneimine(-H))2(O-i-Pr)2]

: 943433-27-0
[Ti(N-phenylsalicylideneimine(-H))2(OC(CH3)2CH2CH(CH3)O)]

Conditions

Conditions	Yield
In benzene byproducts: (CH3)2CHOH; under unhydrous atm., soln. of ligand added to soln. of Ti compd. (3.06:3.01), refluxed, monitored by isopropanol liberated; concd., crystd., elem. anal.;	99%

: 107-41-5
2-methyl-2,4-pentanediol

: 64-19-7
acetic acid

: 4833-08-3
4-acetoxy-2-methylpentan-2-ol

Conditions

Conditions	Yield
With β-cyclodextrin-SO3H In neat (no solvent) at 70℃; for 6h;	99%

: 107-41-5
2-methyl-2,4-pentanediol

: 331834-13-0
2,3-dihydro-1-benzofuran-5-ylboronic acid

: 2-(benzofuran-5-yl)-4,4,6-trimethyl-1,3,2-dioxaborinane

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 16h;	99%

: 107-41-5
2-methyl-2,4-pentanediol

: 80-62-6
methacrylic acid methyl ester

: 4-hydroxy-4-methylpentan-2-yl methacrylate

Conditions

Conditions	Yield
With 1,1,1-trioctyl-1-methylphosphonium methylcarbonate at 20℃; for 24h; Molecular sieve; Green chemistry; chemoselective reaction;	99%
With 1,1,1-trioctyl-1-methylphosphonium methylcarbonate; 4,4'-di-tert-butylbiphenyl at 25℃; for 24h; Schlenk technique; Molecular sieve;	99%

: 107-41-5
2-methyl-2,4-pentanediol

: 80-62-6
methacrylic acid methyl ester

A: 4-hydroxy-4-methylpentan-2-yl methacrylate

B: 2-methylpentane-2,4-diyl bis(2-methylacrylate)

Conditions

Conditions	Yield
With 4,4'-di-tert-butylbiphenyl; tetramethylammonium methyl carbonate at 80℃; for 24h; Schlenk technique; Molecular sieve;	A 5% B 99%
With tetramethylammonium methyl carbonate at 80℃; for 24h; Molecular sieve; Green chemistry; chemoselective reaction;	A 5% B 95%

...Expand

: 107-41-5
2-methyl-2,4-pentanediol

: 230299-21-5
4,4,4',4',6,6'-hexamethyl-2,2'-bi(1,3,2-dioxaborinane)bis(hexyleneglycolato)diboron

Conditions

Conditions	Yield
With tetrakis(dimethylamido)diborane In toluene at 20 - 100℃; for 1.25h;	98.6%
Multi-step reaction with 2 steps 1: 2,6-di-tert-butyl-4-methyl-phenol / dichloromethane / -10 - 0 °C / Inert atmosphere 2: C25H36FeN2Si / toluene / 15 h / Inert atmosphere; Reflux View Scheme

: 107-41-5
2-methyl-2,4-pentanediol

: 887-37-6
bis(2-methylpentane-2,4-diyldioxy)silane

Conditions

Conditions	Yield
With silica gel; sodium hydroxide In ethanol for 48h; Reflux; Large scale;	98%
With silica gel; sodium hydroxide at 15℃; under 760.051 Torr; for 24h; Reagent/catalyst;
With pyridine; tetrachlorosilane

: 107-41-5
2-methyl-2,4-pentanediol

: (Al(OCH(CH3)2)(CH3COCHCOCH3)2)2

: H(1+)*(CH3COCHCOCH3)2Al(OC(CH3)2CH2CH(CH3)O)(1-)=H[(CH3COCHCOCH3)2Al(OC(CH3)2CH2CH(CH3)O)]

Conditions

Conditions	Yield
In benzene byproducts: i-PrOH; Al-compd.:glycole-compd. molar ratio was 1:2, reflux for 5 h; solvent was removed in vac., solid was recrystd. from CH2Cl2/n-hexane (7:1), elem. anal.;	98%

: 107-41-5
2-methyl-2,4-pentanediol

: 123324-71-0
4-tert-butylphenylboronic acid

: 2-(4-(tert-butyl)phenyl)-4,4,6-trimethyl-1,3,2-dioxaborinane

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 16h;	98%

: 107-41-5
2-methyl-2,4-pentanediol

: 32316-92-0
naphthalene-2-boronic acid

: 1260068-92-5
4,4,6-trimethyl-2-naphthalen-2-yl[1,3,2]dioxaborinane

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 16h;	98%

: 107-41-5
2-methyl-2,4-pentanediol

: 123-73-9
crotonaldehyde

: C10H18O2

Conditions

Conditions	Yield
With trichloroacetonitrile at 20℃; for 2.5h; Inert atmosphere;	98%

: 107-41-5
2-methyl-2,4-pentanediol

: 104-55-2
3-phenyl-propenal

: C15H20O2

Conditions

Conditions	Yield
With trichloroacetonitrile at 20℃; for 2h; Inert atmosphere;	97%

: 107-41-5
2-methyl-2,4-pentanediol

: (C9H6NO)B(OCH(CH3)2)2

: 185611-05-6
(C9H6NO)B(OC(CH3)2CH2CH(CH3)O)

Conditions

Conditions	Yield
In benzene refluxing (10 h); recrystn. (benzene/CH2Cl2); elem. anal.;	96.61%

: 107-41-5
2-methyl-2,4-pentanediol

: 121-43-7
Trimethyl borate

: 3208-69-3
2-methoxy-4,4,6-trimethyl-1,3,2-dioxaborinane

Conditions

Conditions	Yield
for 1.5h; Reflux; Dean-Stark;	96.1%

: 107-41-5
2-methyl-2,4-pentanediol

: 85272-31-7
di-tert-butylsilyl bis(trifluoromethanesulfonate)

: 85272-43-1
2,2-Di-tert-butyl-4,4,6-trimethyl-[1,3,2]dioxasilinane

Conditions

Conditions	Yield
With 2,6-dimethylpyridine In chloroform-d1 at 25℃;	96%

: 107-41-5
2-methyl-2,4-pentanediol

: bis(acetylacetonato)titanium(IV) diisopropoxide

: [titanium(IV)(acetylacetonate)2(OC(CH3)2CH2CH(CH3)O)]

Conditions

Conditions	Yield
In benzene for 4h; Reflux;	96%

: 107-41-5
2-methyl-2,4-pentanediol

: 5467-74-3
4-Bromophenylboronic acid

: 1092060-78-0
2-(4-bromophenyl)-4,4,6-trimethyl-1,3,2-dioxaborinane

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 16h;	96%

: 107-41-5
2-methyl-2,4-pentanediol

: 17865-11-1
(4-(trimethylsilyl)phenyl)boronic acid

: 2-(4-trimethylsilylphenyl)-4,4,6-trimethyl-1,3,2-dioxaborinane

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 16h;	96%

: 107-41-5
2-methyl-2,4-pentanediol

: 98-88-4
benzoyl chloride

: 2-phenyl-4,4,6-trimethyl-1,3-dioxanium hexachloroantimonate

Conditions

Conditions	Yield
With antimonypentachloride In dichloromethane at 0℃; for 0.25h;	95%

: 107-41-5
2-methyl-2,4-pentanediol

: 616-38-6
carbonic acid dimethyl ester

: 27700-00-1
4,4,6-trimethyl-1,3-dioxane-2-one

Conditions

Conditions	Yield
With 1,1,1-trioctyl-1-methylphosphonium methylcarbonate at 90℃; for 12h;	95%

: 107-41-5
2-methyl-2,4-pentanediol

phenylboronic acid: phenylboronic acid

: 15961-35-0
4,4,6-trimethyl-2-phenyl-[1,3,2]dioxaborinane

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 16h;	95%
With 1H-imidazole; iron(III) chloride In water; acetonitrile at 20℃; for 0.5h; Inert atmosphere;	82%

: 107-41-5
2-methyl-2,4-pentanediol

: 5720-06-9
2-Methoxyphenylboronic acid

: 934558-37-9
2-(2-methoxyphenyl)-4,4,6-trimethyl-1,3,2-dioxaborinane

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 16h;	95%

2-Methyl-2,4-pentanediol Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	oral	2800mg/kg (2800mg/kg)	BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: MUSCLE WEAKNESS LIVER: OTHER CHANGES	Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 4, Pg. 142, 1945.
human	TCLo	inhalation	50ppm/15M (50ppm)	SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 312, 1969.
human	TCLo	inhalation	50ppm (50ppm)	SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Journal of Industrial Hygiene and Toxicology. Vol. 28, Pg. 262, 1946.
mouse	LD50	intraperitoneal	1299mg/kg (1299mg/kg)		Shell Chemical Company. Unpublished Report. Vol. -, Pg. 5, 1961.
mouse	LD50	oral	3097mg/kg (3097mg/kg)		Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 45, Pg. 669, 1956.
rabbit	LD50	oral	3200mg/kg (3200mg/kg)	BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: MUSCLE WEAKNESS LIVER: OTHER CHANGES	Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 4, Pg. 142, 1945.
rabbit	LD50	skin	8560uL/kg (8.56mL/kg)		"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 731, 1969.
rabbit	LD50	subcutaneous	13gm/kg (13000mg/kg)	SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Food and Cosmetics Toxicology. Vol. 16, Pg. 777, 1978.
rat	LC50	inhalation	> 310mg/m3/1H (310mg/m3)		BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 12-4/1970,
rat	LD50	oral	3700mg/kg (3700mg/kg)		Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 68, 1974.
rat	LDLo	intraperitoneal	1500mg/kg (1500mg/kg)	BEHAVIORAL: GENERAL ANESTHETIC GASTROINTESTINAL: OTHER CHANGES KIDNEY, URETER, AND BLADDER: RENAL FUNCTION TESTS DEPRESSED	Journal of Pharmacy and Pharmacology. Vol. 11, Pg. 150, 1959.

2-Methyl-2,4-pentanediol Consensus Reports

Reported in EPA TSCA Inventory.

2-Methyl-2,4-pentanediol Standards and Recommendations

OSHA PEL: CL 25 ppm
ACGIH TLV: CL 25 ppm
DFG MAK: 10 ppm

2-Methyl-2,4-pentanediol Specification

The 2-Methyl-2,4-pentanediol, with the CAS registry number 107-41-5,is also known as 2-Methylpentan-2,4-diol; Hexylene glycol. It belongs to the product categories of Industrial/Fine Chemicals;White powder.Its EINECS number is 203-489-0. This chemical's molecular formula is C₆H₁₄O₂ and molecular weight is 118.17. What's more,Its systematic name is 2-Methylpentane-2,4-diol.It is a Oily colorless liquid with a mild sweet odor which is stable,incompatible with strong oxidizing agents,strong acids,strong reducing agents.It is irritating to eyes and skin . When you use it ,wear suitable protective clothing .In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.And it is used as solvents, spices, medical disinfectants, fabrics penetration agent, paper and leather processing aid.

Physical properties about 2-Hydroxy-2-methylpropiophenone are:
(1)ACD/LogP: 0.004; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.00; (4)ACD/LogD (pH 7.4): 0.00; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 23.96; (8)ACD/KOC (pH 7.4): 23.96; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.446; (13)Molar Refractivity: 32.84 cm3; (14)Molar Volume: 123.013 cm3; (15)Surface Tension: 33.8889999389648 dyne/cm; (16)Density: 0.961 g/cm3; (17)Flash Point: 93.889 °C; (18)Enthalpy of Vaporization: 50.464 kJ/mol; (19)Boiling Point: 197.499 °C at 760 mmHg; (20)Vapour Pressure: 0.096000000834465 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:CC(O)CC(C)(C)O;
(2)Std. InChI:InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3;
(3)Std. InChIKey:SVTBMSDMJJWYQN-UHFFFAOYSA-N.

The toxicity data of 2-Methyl-2,4-pentanediol are as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	oral	2800mg/kg (2800mg/kg)	BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: MUSCLE WEAKNESS LIVER: OTHER CHANGES	Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 4, Pg. 142, 1945.
human	TCLo	inhalation	50ppm/15M (50ppm)	LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE	"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 312, 1969.
human	TCLo	inhalation	50ppm (50ppm)	SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Journal of Industrial Hygiene and Toxicology. Vol. 28, Pg. 262, 1946.
mouse	LD50	intraperitoneal	1299mg/kg (1299mg/kg)		Shell Chemical Company. Unpublished Report. Vol. -, Pg. 5, 1961.
mouse	LD50	oral	3097mg/kg (3097mg/kg)		Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 45, Pg. 669, 1956.
rabbit	LD50	oral	3200mg/kg (3200mg/kg)	BEHAVIORAL: GENERAL ANESTHETIC LIVER: OTHER CHANGES BEHAVIORAL: MUSCLE WEAKNESS	Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 4, Pg. 142, 1945.
rabbit	LD50	skin	8560uL/kg (8.56mL/kg)		"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 731, 1969.
rabbit	LD50	subcutaneous	13gm/kg (13000mg/kg)	SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Food and Cosmetics Toxicology. Vol. 16, Pg. 777, 1978.
rat	LC50	inhalation	> 310mg/m3/1H (310mg/m3)		BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 12-4/1970,
rat	LD50	oral	3700mg/kg (3700mg/kg)		Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 68, 1974.
rat	LDLo	intraperitoneal	1500mg/kg (1500mg/kg)	BEHAVIORAL: GENERAL ANESTHETIC GASTROINTESTINAL: OTHER CHANGES KIDNEY, URETER, AND BLADDER: RENAL FUNCTION TESTS DEPRESSED	Journal of Pharmacy and Pharmacology. Vol. 11, Pg. 150, 1959.

Product Name

Hexylene Glycol

Synthetic route

2-Methyl-2,4-pentanediol Toxicity Data With Reference

2-Methyl-2,4-pentanediol Consensus Reports

2-Methyl-2,4-pentanediol Standards and Recommendations

2-Methyl-2,4-pentanediol Specification

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