2-propylheptanol

Modify Date: 2025-08-20 09:13:27

2-propylheptanol Structure
2-propylheptanol structure
 Common Name 2-propylheptanol
CAS Number 10042-59-8 Molecular Weight 158.281
Density 0.8±0.1 g/cm3 Boiling Point 217.5±0.0 °C at 760 mmHg
Molecular Formula C10H22O Melting Point N/A
MSDS N/A Flash Point 87.1±6.5 °C

 Use of 2-propylheptanol


2-Propylheptanol is an intermediate and can be used for synthesizing a series of plasticizers by esterification with phthalic anhydride, trimellitic anhydride and adipic acid, etc[1].

 Names

Name 2-propylheptan-1-ol
Synonym More Synonyms

 2-propylheptanol Biological Activity

Description 2-Propylheptanol is an intermediate and can be used for synthesizing a series of plasticizers by esterification with phthalic anhydride, trimellitic anhydride and adipic acid, etc[1].
Related Catalog
References

[1]. Hualiang An, et al. Preparation of Ni-IL/SiO2 and its catalytic performance for one-pot sequential synthesis of 2-propylheptanol from n-valeraldehyde. Issue 47, 2020, Issue in Progress

 Chemical & Physical Properties

Density 0.8±0.1 g/cm3
Boiling Point 217.5±0.0 °C at 760 mmHg
Molecular Formula C10H22O
Molecular Weight 158.281
Flash Point 87.1±6.5 °C
Exact Mass 158.167068
PSA 20.23000
LogP 3.88
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.434
InChIKey YLQLIQIAXYRMDL-UHFFFAOYSA-N
SMILES CCCCCC(CO)CCC

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MJ4800000
CHEMICAL NAME :
1-Heptanol, 2-propyl-
CAS REGISTRY NUMBER :
10042-59-8
BEILSTEIN REFERENCE NO. :
1361442
LAST UPDATED :
199710
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C10-H22-O
MOLECULAR WEIGHT :
158.32
WISWESSER LINE NOTATION :
Q1Y5&3

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
6730 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>10 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,698,1969

 Safety Information

RTECS MJ4800000

 Synthetic Route

pentanol structure

pentanol

CAS#:71-41-0

~70%

2-propylheptanol Structure

2-propylheptanol

CAS#:10042-59-8

Literature: Matsu-Ura, Toyomi; Sakaguchi, Satoshi; Obora, Yasushi; Ishii, Yasutaka Journal of Organic Chemistry, 2006 , vol. 71, # 21 p. 8306 - 8308
2-propyl-2-Heptenal structure

2-propyl-2-Heptenal

CAS#:34880-43-8

~%

2-propylheptanol Structure

2-propylheptanol

CAS#:10042-59-8

Literature: US2012/253083 A1, ; Page/Page column 4 ;
pentanol structure

pentanol

CAS#:71-41-0

Sodium pentylate structure

Sodium pentylate

CAS#:1941-84-0

~%

2-propylheptanol Structure

2-propylheptanol

CAS#:10042-59-8

Literature: Journal of Organic Chemistry, , vol. 15, p. 54,56
2-pentyl-pent-4-en-1-ol structure

2-pentyl-pent-4...

CAS#:346447-01-6

~%

2-propylheptanol Structure

2-propylheptanol

CAS#:10042-59-8

Literature: Helvetica Chimica Acta, , vol. 11, p. 1064
4-Methylenenonane structure

4-Methylenenonane

CAS#:33717-91-8

~%

2-propylheptanol Structure

2-propylheptanol

CAS#:10042-59-8

Literature: , vol. 1, # 8 p. 1189 - 1204
4-nonanone structure

4-nonanone

CAS#:4485-09-0

~%

2-propylheptanol Structure

2-propylheptanol

CAS#:10042-59-8

Literature: , vol. 1, # 8 p. 1189 - 1204

 Synonyms

1-Heptanol, 2-propyl-
2-n-Propyl-1-Heptanol
2-propylheptyl alcohol
MFCD00046768
2-propylheptanol
heptan-1-ol, 2-propyl-
1-Heptanol,2-propyl
2-Propylheptan-1-ol
2-Propyl-1-heptanol
2-propyl-heptan-1-ol
EINECS 233-126-1
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