CAS 100-72-1|UNII:JR71SUM5E9

Introduction：Basic information about CAS 100-72-1|UNII:JR71SUM5E9, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. UNII:JR71SUM5E9 BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Synonyms

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	/	Flash Point	93.3±0.0 °C

Names

Name	tetrahydropyran-2-methanol
Synonym	More Synonyms

UNII:JR71SUM5E9 BiologicalActivity

Description	2-Hydroxymethyltetrahydropyran is a volatile compound in Sambucus williamsii (SW) seed oil. SW seed oil has potential antioxidant activity[1].
Related Catalog	Research Areas >>OthersSignaling Pathways >>Others >>Others
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
InChIKey	ROTONRWJLXYJBD-UHFFFAOYSA-N
SMILES	OCC1CCCCO1

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 Unpublished Report.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

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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