1,7-Heptanediol supplier | CasNO.629-30-1

Name
1,7-Heptanediol
EINECS 211-085-0
CAS No. 629-30-1
Article Data230
CAS DataBase
Density 0.951 g/cm³
Solubility Soluble in water, slightly soluble in ether.
Melting Point 17-19 °C(lit.)
Formula C₇H₁₆O₂
Boiling Point 262 °C at 760 mmHg
Molecular Weight 132.203
Flash Point 120.9 °C
Transport Information
Appearance yellowish liquid
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,7-Dihydroxyheptane;NSC 3821;a,w-Heptanediol;w-Heptanediol;
PSA 40.46000
LogP 0.92150

Synthetic route

[4-((7-hydroxy-heptoxy)-diphenyl-methyl)phenoxy]-poly(styrene-co-divinylbenzene), copolymer 99:1, trityl loading: 1.47 mmol/g: [4-((7-hydroxy-heptoxy)-diphenyl-methyl)phenoxy]-poly(styrene-co-divinylbenzene), copolymer 99:1, trityl loading: 1.47 mmol/g

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
With trifluoroacetic acid In dichloromethane at 20℃; for 0.5h;	100%

: 766-77-8
Dimethylphenylsilane

: 81036-11-5
7-(2-tetrahydro-2H-pyranyloxy)heptan-1-ol

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
With aluminum (III) chloride In dichloromethane at 0℃; chemoselective reaction;	100%

: 81036-11-5
7-(2-tetrahydro-2H-pyranyloxy)heptan-1-ol

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
With acide phosphorique at 180 - 200℃;	98.6%

: 2050-20-6
diethyl pimelate

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
With sodium bis(2-methoxyethoxy)aluminium dihydride In 2-methyltetrahydrofuran at 45℃; for 5h; Inert atmosphere;	98%
With samarium diiodide; water; triethylamine In tetrahydrofuran at 20℃; for 20h; Inert atmosphere;	87%
With ethanol; sodium

: 1732-08-7
dimethyl 1,7-heptanedioate

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran at 5 - 20℃; for 2.5h; Large scale;	95.3%
With ethanol; sodium
With sodium; butan-1-ol
With lithium aluminium tetrahydride; diethyl ether

: acetic acid 7-(4-methoxy-benzyloxy)-heptyl ester

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
With carbon tetrabromide In methanol for 3h; Deacetylation; ether cleavage; Heating;	74%

: 1192601-85-6
7-hydroxyheptyl phenyl telluride

A: 629-30-1
1,7-heptandiol

B: 4117-10-6
6-hepten-1-ol

C: 22054-13-3
7-hydroxyheptanal

Conditions

Conditions	Yield
With oxygen In hexane for 0.0333333h; UV-irradiation;	A 16 %Chromat. B 6 %Chromat. C 72%

...Expand

: 6485-79-6
chlorotriisopropylsilane

: 81036-11-5
7-(2-tetrahydro-2H-pyranyloxy)heptan-1-ol

A: 629-30-1
1,7-heptandiol

B: 859509-85-6
7-((triisopropylsilyl)oxy)heptan-1-ol

Conditions

Conditions	Yield
With aluminum (III) chloride In toluene at 0℃; chemoselective reaction;	A n/a B 58%

...Expand

: 50-00-0
formaldehyd

: 111-24-0
1,5-dibromo-pentane

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
Stage #1: 1,5-dibromo-pentane With magnesium In tetrahydrofuran at 200℃; for 2h; Inert atmosphere; Stage #2: formaldehyd In tetrahydrofuran for 12h;	50%

: 111-16-0
heptanedioic acid

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
With potassium hydroxide; samarium diiodide In tetrahydrofuran; water for 0.01h; Ambient temperature;	25%
With lithium aluminium tetrahydride; diethyl ether
With copper-aluminium-zinc catalyst at 280℃; under 147102 Torr; Hydrogenation;
Multi-step reaction with 2 steps 1: concentrated sulfuric acid 2: sodium; alcohol View Scheme
Multi-step reaction with 2 steps 1: toluene-4-sulfonic acid / 7 h / Reflux; Large scale 2: lithium aluminium tetrahydride / tetrahydrofuran / 2.5 h / 5 - 20 °C / Large scale View Scheme

: 623-30-3
3-furan-2-yl-propenal

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
With hydrogen In butan-1-ol at 150℃; under 7500.75 Torr; for 4h; Autoclave;	9%

: 623-30-3
3-furan-2-yl-propenal

A: 629-30-1
1,7-heptandiol

B: 40646-07-9
1,4-heptane-diol

Conditions

Conditions	Yield
With hydrogen In butan-1-ol at 150℃; under 7500.75 Torr; for 8h; Autoclave;	A 7% B 6%

: 137333-33-6
1,7-dimethoxyheptane

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
With hydrogen iodide

: 4549-31-9
1,7-dibromoheptane

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
With silver(I) acetate Destillierung das Diacetat ueber Natronkalk;

: 84143-36-2
3-heptene-1,7-diol

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
Hydrogenation;

: 102547-94-4
hept-3-yne-1,7-diol

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
With methanol; nickel under 22065.2 - 36775.4 Torr; Hydrogenation;

: 503-30-0
trimethylene oxide

: 58766-02-2
4-<(tetrahydropyran-2-yl)oxy>butylmagnesium chloride

: 629-30-1
1,7-heptandiol

: 66997-43-1
2,8-dihydroxy-octanoic acid

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
With chromium(VI) oxide

: 539-87-7
oxocan-2-one

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
With lithium triethylborohydride In various solvent(s) for 0.416667h; Thermodynamic data; ΔH;

: 3070-53-9
1,6-heptadiene

A: 629-30-1
1,7-heptandiol

B: 60096-09-5
heptane-1,5-diol

C: 23418-82-8
cis-1,5-cyclooctanediol

Conditions

Conditions	Yield
With 9-borabicyclo[3.3.1]nonane dimer; dimethylsulfide borane complex Product distribution;

...Expand

3--acrolein: 3--acrolein

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
With copper chromite; ethanol at 200℃; under 73550.8 - 147102 Torr; Hydrogenation;

pimelic acid dibutyl ester: pimelic acid dibutyl ester

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
With copper oxide-chromium oxide at 210℃; under 760000 Torr; Hydrogenation;

: 2050-20-6
diethyl pimelate

: 64-17-5
ethanol

sodium: sodium

: 629-30-1
1,7-heptandiol

...Expand

: 2009-84-9
(chloro-6' hexyloxy)-2 tetrahydropyranne

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) magnesium / 1.) THF, reflux, 1.5 h, 2.) reflux, 1 h. 2: 98.6 percent / acide phosphorique / 180 - 200 °C View Scheme

: 2009-83-8
6-chloro-1-hexanol

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 2: 1.) magnesium / 1.) THF, reflux, 1.5 h, 2.) reflux, 1 h. 3: 98.6 percent / acide phosphorique / 180 - 200 °C View Scheme
Multi-step reaction with 2 steps 1: (i) /BRN= 4652394/, DMSO, (ii) H2, Raney-Ni, semicarbazide*HCl, aq. EtOH, (iii) /BRN= 4652394/, aq. HCl, dioxane, (iv) (heating) 2: CrO3 View Scheme

: 21890-96-0
7-(tetrahydro-2H-pyran-2-yloxy)hept-3-yn-1-ol

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: methanol; toluene-4-sulfonic acid 2: Raney nickel; methanol / 22065.2 - 36775.4 Torr / Hydrogenation View Scheme

: 5390-04-5
pent-1-yn-5-ol

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: phosphoryl chloride; sodium amide; liquid ammonia / Reagens Nr. 4: Aether 2: methanol; toluene-4-sulfonic acid 3: Raney nickel; methanol / 22065.2 - 36775.4 Torr / Hydrogenation View Scheme

: 60579-50-2
B-methoxyborocane

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
With dihydrogen peroxide In water oxidation with alkaline H2O2;;

: C6H11OPol

: 201230-82-2
carbon monoxide

A: 629-30-1
1,7-heptandiol

B: 25258-92-8
(+/-)-2-methylhexane-1,6-diol

Conditions

Conditions	Yield
Stage #1: C6H11OPol; carbon monoxide With acetylacetonatodicarbonylrhodium(l); hydrogen In toluene at 60℃; under 30003 Torr; for 24h; Inert atmosphere; Autoclave; solid phase reaction; Stage #2: With sodium tetrahydroborate Inert atmosphere; solid phase reaction; Stage #3: With trifluoroacetic acid In dichloromethane at 20℃; for 0.166667h; Inert atmosphere; solid phase reaction;

...Expand

: 629-30-1
1,7-heptandiol

: 821-76-1
1,7-dichloroheptane

Conditions

Conditions	Yield
With Ethyl trichloroacetate; triphenylphosphine In acetonitrile at 10 - 15℃; for 3h;	100%
With pyridine; thionyl chloride
(i) COCl2, (ii) Ph3P; Multistep reaction;
With pyridine; thionyl chloride

: 629-30-1
1,7-heptandiol

A: 53185-69-6
pimelaldehyde

B: 103984-88-9
undeca-1,10-diene-3,9-diol

Conditions

Conditions	Yield
	A 100% B n/a

: 629-30-1
1,7-heptandiol

: 74-86-2
acetylene

: 143458-13-3
1,7-divinyloxyheptane

Conditions

Conditions	Yield
With potassium hydroxide; dimethyl sulfoxide at 100℃; under 760 Torr; for 5h;	99%
With sodium hydroxide; cesium fluoride In dimethyl sulfoxide at 100℃; for 2.5h; atmospheric pressure;	87%

: 629-30-1
1,7-heptandiol

: 76-83-5
trityl chloride

: 1198081-86-5
C45H44O2

Conditions

Conditions	Yield
With iron(III) chloride; 1-(n-butyl)-3-methylimidazolium triflate at 40℃; for 3.16667h; Ionic liquid;	99%

: 629-30-1
1,7-heptandiol

: 28447-20-3
3-vinylbenzoic acid

: heptane-1,7-diyl bis(3-vinylbenzoate)

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 15h; Steglich Esterification; Inert atmosphere;	99%

: 629-30-1
1,7-heptandiol

: 111-16-0
heptanedioic acid

Conditions

Conditions	Yield
With C24H33IrN4O3; water; sodium hydroxide for 18h; Reflux;	97%

: 123-99-9
azelaic acid

: 629-30-1
1,7-heptandiol

: 660-63-9
1,9-dioxacyclooctadecane-10,18-dione

Conditions

Conditions	Yield
With hafnium(IV) trifluoromethanesulfonate In toluene at 110℃; for 48h; Inert atmosphere;	96%

: 629-30-1
1,7-heptandiol

: 4549-31-9
1,7-dibromoheptane

Conditions

Conditions	Yield
With 1-(ω-sulfonic acid)propyl-3-methylimidazolium bromide at 100℃; Inert atmosphere;	95%
With dibromotriphenylphosphorane	89%
With phosphorus tribromide; triethylamine In diethyl ether at 0℃;	48%

: 629-30-1
1,7-heptandiol

: 530-62-1
1,1'-carbonyldiimidazole

: heptane-1,7-diyl bis(1H-imidazole-1-carboxylate)

Conditions

Conditions	Yield
In dichloromethane at 20℃; Inert atmosphere;	95%

: 629-30-1
1,7-heptandiol

: 109216-50-4
(1S,5R,7S)-1,5,7-Trimethyl-2,4-dioxo-3-aza-bicyclo[3.3.1]nonane-7-carbonyl chloride

: 129786-97-6
C31H46N2O8

Conditions

Conditions	Yield
With dmap; triethylamine In dichloromethane Heating;	94%

[4-((7-hydroxy-heptoxy)-diphenyl-methyl)phenoxy]-poly(styrene-co-divinylbenzene), copolymer 99:1, trityl loading: 1.47 mmol/g: [4-((7-hydroxy-heptoxy)-diphenyl-methyl)phenoxy]-poly(styrene-co-divinylbenzene), copolymer 99:1, trityl loading: 1.47 mmol/g

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
With trifluoroacetic acid In dichloromethane at 20℃; for 0.5h;	100%

: 766-77-8
Dimethylphenylsilane

: 81036-11-5
7-(2-tetrahydro-2H-pyranyloxy)heptan-1-ol

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
With aluminum (III) chloride In dichloromethane at 0℃; chemoselective reaction;	100%

: 81036-11-5
7-(2-tetrahydro-2H-pyranyloxy)heptan-1-ol

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
With acide phosphorique at 180 - 200℃;	98.6%

: 2050-20-6
diethyl pimelate

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
With sodium bis(2-methoxyethoxy)aluminium dihydride In 2-methyltetrahydrofuran at 45℃; for 5h; Inert atmosphere;	98%
With samarium diiodide; water; triethylamine In tetrahydrofuran at 20℃; for 20h; Inert atmosphere;	87%
With ethanol; sodium

: 1732-08-7
dimethyl 1,7-heptanedioate

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran at 5 - 20℃; for 2.5h; Large scale;	95.3%
With ethanol; sodium
With sodium; butan-1-ol
With lithium aluminium tetrahydride; diethyl ether

: acetic acid 7-(4-methoxy-benzyloxy)-heptyl ester

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
With carbon tetrabromide In methanol for 3h; Deacetylation; ether cleavage; Heating;	74%

: 1192601-85-6
7-hydroxyheptyl phenyl telluride

A: 629-30-1
1,7-heptandiol

B: 4117-10-6
6-hepten-1-ol

C: 22054-13-3
7-hydroxyheptanal

Conditions

Conditions	Yield
With oxygen In hexane for 0.0333333h; UV-irradiation;	A 16 %Chromat. B 6 %Chromat. C 72%

...Expand

: 6485-79-6
chlorotriisopropylsilane

: 81036-11-5
7-(2-tetrahydro-2H-pyranyloxy)heptan-1-ol

A: 629-30-1
1,7-heptandiol

B: 859509-85-6
7-((triisopropylsilyl)oxy)heptan-1-ol

Conditions

Conditions	Yield
With aluminum (III) chloride In toluene at 0℃; chemoselective reaction;	A n/a B 58%

...Expand

: 50-00-0
formaldehyd

: 111-24-0
1,5-dibromo-pentane

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
Stage #1: 1,5-dibromo-pentane With magnesium In tetrahydrofuran at 200℃; for 2h; Inert atmosphere; Stage #2: formaldehyd In tetrahydrofuran for 12h;	50%

: 111-16-0
heptanedioic acid

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
With potassium hydroxide; samarium diiodide In tetrahydrofuran; water for 0.01h; Ambient temperature;	25%
With lithium aluminium tetrahydride; diethyl ether
With copper-aluminium-zinc catalyst at 280℃; under 147102 Torr; Hydrogenation;
Multi-step reaction with 2 steps 1: concentrated sulfuric acid 2: sodium; alcohol View Scheme
Multi-step reaction with 2 steps 1: toluene-4-sulfonic acid / 7 h / Reflux; Large scale 2: lithium aluminium tetrahydride / tetrahydrofuran / 2.5 h / 5 - 20 °C / Large scale View Scheme

: 623-30-3
3-furan-2-yl-propenal

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
With hydrogen In butan-1-ol at 150℃; under 7500.75 Torr; for 4h; Autoclave;	9%

: 623-30-3
3-furan-2-yl-propenal

A: 629-30-1
1,7-heptandiol

B: 40646-07-9
1,4-heptane-diol

Conditions

Conditions	Yield
With hydrogen In butan-1-ol at 150℃; under 7500.75 Torr; for 8h; Autoclave;	A 7% B 6%

: 137333-33-6
1,7-dimethoxyheptane

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
With hydrogen iodide

: 4549-31-9
1,7-dibromoheptane

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
With silver(I) acetate Destillierung das Diacetat ueber Natronkalk;

: 84143-36-2
3-heptene-1,7-diol

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
Hydrogenation;

: 102547-94-4
hept-3-yne-1,7-diol

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
With methanol; nickel under 22065.2 - 36775.4 Torr; Hydrogenation;

: 503-30-0
trimethylene oxide

: 58766-02-2
4-<(tetrahydropyran-2-yl)oxy>butylmagnesium chloride

: 629-30-1
1,7-heptandiol

: 66997-43-1
2,8-dihydroxy-octanoic acid

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
With chromium(VI) oxide

: 539-87-7
oxocan-2-one

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
With lithium triethylborohydride In various solvent(s) for 0.416667h; Thermodynamic data; ΔH;

: 3070-53-9
1,6-heptadiene

A: 629-30-1
1,7-heptandiol

B: 60096-09-5
heptane-1,5-diol

C: 23418-82-8
cis-1,5-cyclooctanediol

Conditions

Conditions	Yield
With 9-borabicyclo[3.3.1]nonane dimer; dimethylsulfide borane complex Product distribution;

...Expand

3--acrolein: 3--acrolein

: 629-30-1
1,7-heptandiol

Conditions

Conditions	Yield
With copper chromite; ethanol at 200℃; under 73550.8 - 147102 Torr; Hydrogenation;

1,7-Heptanediol Specification

The 1,7-Heptanediol, also known as 1,7-Dihydroxyheptane, is an organic compound with the formula C₇H₁₆O₂. It belongs to the product categories of alpha,omega-Alkanediols; alpha,omega-Bifunctional Alkanes; Monofunctional & alpha,omega-Bifunctional Alkanes; Linear Hydrocarbon Series; Intermediates. Its EINECS registry number is 211-085-0. With the CAS registry number 629-30-1, its IUPAC name is heptane-1,7-diol. When you are using this chemical, please be cautious about it. You must avoid contact with skin and eyes. What's more, it should be protected from the oxidant, reducing agent, acidic chloride, anhydride and chlorine formic acid ester.

Physical properties of 1,7-Heptanediol: (1)ACD/LogP: 0.46; (2)ACD/LogD (pH 5.5): 0.46; (3)ACD/LogD (pH 7.4): 0.46; (4)ACD/BCF (pH 5.5): 1.33; (5)ACD/BCF (pH 7.4): 1.33; (6)ACD/KOC (pH 5.5): 42.58; (7)ACD/KOC (pH 7.4): 42.58; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 8; (11)Index of Refraction: 1.452; (12)Molar Refractivity: 37.54 cm³; (13)Molar Volume: 139 cm³; (14)Surface Tension: 37.4 dyne/cm; (15)Density: 0.95 g/cm³; (16)Flash Point: 120.9 °C; (17)Enthalpy of Vaporization: 58.04 kJ/mol; (18)Boiling Point: 262 °C at 760 mmHg; (19)Vapour Pressure: 0.00159 mmHg at 25°C.

Preparation of 1,7-Heptanediol: this chemical can be prepared by 7-tetrahydropyranyloxy-heptan-1-ol. This reaction will need reagent acide phosphorique. The reaction occurs at 180 - 200 °C. The yield is about 98.6%.

1,7-Heptanediol can be prepared by 7-tetrahydropyranyloxy-heptan-1-ol

Uses of 1,7-Heptanediol: it can be used to produce 7-chloro-heptan-1-ol at 95 °C. This reaction will need reagent concentrated HCl.

1,7-Heptanediol can be used to produce 7-chloro-heptan-1-ol at 95 °C

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(CCCO)CCCO
(2)InChI: InChI=1S/C7H16O2/c8-6-4-2-1-3-5-7-9/h8-9H,1-7H2
(3)InChIKey: SXCBDZAEHILGLM-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD	intraperitoneal	> 500mg/kg (500mg/kg)		"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 147, 1954.

Product Name

1,7-Heptanediol

Synthetic route

1,7-Heptanediol Specification

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