UNII:JR71SUM5E9

Modify Date: 2024-01-03 20:24:42

UNII:JR71SUM5E9 Structure
UNII:JR71SUM5E9 structure
 Common Name UNII:JR71SUM5E9
CAS Number 100-72-1 Molecular Weight 116.158
Density 1.0±0.1 g/cm3 Boiling Point 183.9±8.0 °C at 760 mmHg
Molecular Formula C6H12O2 Melting Point 187°C
MSDS N/A Flash Point 93.3±0.0 °C

 Use of UNII:JR71SUM5E9


2-Hydroxymethyltetrahydropyran is a volatile compound in Sambucus williamsii (SW) seed oil. SW seed oil has potential antioxidant activity[1].

 Names

Name tetrahydropyran-2-methanol
Synonym More Synonyms

 UNII:JR71SUM5E9 Biological Activity

Description 2-Hydroxymethyltetrahydropyran is a volatile compound in Sambucus williamsii (SW) seed oil. SW seed oil has potential antioxidant activity[1].
Related Catalog
References

[1]. Hui Lv, et al. Component Analysis, Quality Measurement and Antioxidant Activity of Sambucus williamsii Seed Oil. Advanced Materials Research, Volumes 941-944.

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 183.9±8.0 °C at 760 mmHg
Melting Point 187°C
Molecular Formula C6H12O2
Molecular Weight 116.158
Flash Point 93.3±0.0 °C
Exact Mass 116.083733
PSA 29.46000
LogP 0.18
Vapour density 4.02 (vs air)
Vapour Pressure 0.2±0.8 mmHg at 25°C
Index of Refraction 1.445

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UQ0175000
CHEMICAL NAME :
2H-Pyran-2-methanol, tetrahydro-
CAS REGISTRY NUMBER :
100-72-1
BEILSTEIN REFERENCE NO. :
0102998
LAST UPDATED :
199612
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C6-H12-O2
MOLECULAR WEIGHT :
116.18
WISWESSER LINE NOTATION :
T6OTJ B1Q

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: 7/28/1966
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,6,1961
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 7/28/1966
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,802,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3730 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 10,61,1954
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2870 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,6,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
4 mL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 10,61,1954

 Safety Information

Hazard Codes Xi:Irritant;
Risk Phrases R36/38
Safety Phrases S26-S36-S24/25
WGK Germany 2
RTECS UQ0175000
HS Code 2932999099

 Synthetic Route

 Customs

HS Code 2932999099
Summary 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

oxan-2-ylmethanol
Tetrahydro-2-hydroxymethyl-2H-pyran
2H-Pyran-2-methanol, tetrahydro-
EINECS 202-882-4
Tetrahydro-2H-pyran-2-ylmethanol
2-Hydroxymethyltetrahydropyran
(Tetrahydro-2H-pyran-2-yl)methanol
MFCD00006624
UNII:JR71SUM5E9
Tetrahydropyran-2-methanol
2-(Hydroxymethyl)tetrahydropyran
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