|
|
|
Substance Name: alpha-Pinene
RN: 80-56-8
UNII: JPF3YI7O34
InChIKey: GRWFGVWFFZKLTI-IUCAKERBSA-N
Note
- Used in manufacture of camphor, insecticides, solvents, plasticizers, perfume bases, synthetic pine oil; can be irritating to skin, mucous membranes; an insect attractants.
Molecular Formula
- C10-H16
Molecular Weight
- 136.2364
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Code
- Skin / Eye Irritant
* denotes mobile formatted website
Links to Resources
NLM Resources (File Locators)
Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
Names and Synonyms
Name of Substance
- alpha-Pinene
Synonyms
- 2,6,6-Trimethylbicyclo(3.1.1)-2-hept-2-ene
- 2,6,6-Trimethylbicyclo(3.1.1)hept-2-ene
- 2-Pinene
- 4,6,6-Trimethylbicyklo(3,1,1)hept-3-en
- 4,6,6-Trimethylbicyklo(3,1,1)hept-3-en [Czech]
- 4-05-00-00456 (Beilstein Handbook Reference)
- Acintene A
- AI3-24594
- alpha-Pinene
- alpha-Pinene (natural)
- Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl
- BRN 3194807
- CCRIS 697
- EC 201-291-9
- EINECS 201-291-9
- EINECS 219-445-9
- FEMA No. 2902
- FEMA Number 2902
- HSDB 720
- Monoterpenes
- NSC 7727
- Pinene isomer
- PINENE, ALPHA
- UNII-JPF3YI7O34
Systematic Names
- 2-Pinene (8CI)
- alpha-Pinene
- Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-
- DL-Pin-2(3)-ene
- Pin-2(3)-ene
Superlist Names
- 2-Pinene
- alpha-Pinene
- alpha-Pinene [UN2368] [Flammable liquid]
- Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-
- UN2368
Registry Numbers
CAS Registry Number
- 80-56-8
FDA UNII
- JPF3YI7O34
Other Registry Number
- 2437-95-8
System Generated Number
- 0000080568
Structure Descriptors
InChI
1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1InChIKey
GRWFGVWFFZKLTI-IUCAKERBSA-NSmiles
CC1=CC[C@H]2C[C@@H]1C2(C)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LCLo | inhalation | 572ug/m3 (0.572mg/m3) | BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE | Food and Cosmetics Toxicology. Vol. 16, Pg. 853, 1978. |
| mouse | LD | intraperitoneal | > 500mg/kg (500mg/kg) | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 232, 1952. | |
| rat | LCLo | inhalation | 625ug/m3 (0.625mg/m3) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE | Food and Cosmetics Toxicology. Vol. 16, Pg. 853, 1978. |
| rat | LD50 | oral | 3700mg/kg (3700mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Food and Cosmetics Toxicology. Vol. 16, Pg. 853, 1978. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -6.40E+01 | deg C | EXP | |
| Boiling Point | 155.9 | deg C | EXP | |
| log P (octanol-water) | 4.83 | (none) | EXP | |
| Water Solubility | 2.49 | mg/L | 25 | EXP |
| Vapor Pressure | 4.75 | mm Hg | 25 | EXP |
| Henry's Law Constant | 0.294 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 5.37E-11 | cm3/molecule-sec | 25 | EXP |
Physical property data is provided to ChemIDplus by SRC, Inc.