기본 정보
- CAS
3391-86-4- 표준 SMILES
C=CC(O)CCCCC- InChIKey
VSMOENVRRABVKN-UHFFFAOYSA-N- 분자식
- C8H16O
- 평균 분자량
- 128.21 g/mol
- 단동위원소 질량
- 128.12011513
개요
Oct-1-en-3-ol is an alkenyl alcohol with a structure based on a C8 unbranched chain with the hydroxy group at C-2 and unsaturation at C-1C-2. It is a major volatile compound present in many mushrooms and fungi. It has a role as an insect attractant, a volatile oil component, an antimicrobial agent and a fungal metabolite. It is a medium-chain fatty alcohol and an alkenyl alcohol. It derives from a hydride of a 1-octene.
이름 및 식별자
- 우선 이름
- 1-Octen-3-Ol
- IUPAC
- oct-1-en-3-ol
- 현지명
- 1-옥텐-3-올
- 영어명
- 1-Octen-3-ol
- 분자식
- C8H16O
- 분자량
- 128.21
이름 및 동의어
1-OCTEN-3-OLOct-1-en-3-ol3391-86-4Vinyl amyl carbinolAmyl vinyl carbinol1-Vinylhexanol3-Hydroxy-1-octeneMatsuica alcoholMushroom alcoholPentylvinylcarbinolVinyl hexanolAmylvinylcarbinol
이름 더 보기
1-옥텐-3-올1-Octene-3-ol3-OctenolOcten-3-olMatsutake alcoholMatsuka alcohol
octene-1-ol-3FEMA No. 2805DTXSID3035214NSC-87563WXB511GE38CHEBI:34118DTXCID1015214RefChem:76777
데이터베이스 식별자
- CAS
3391-86-4- PubChem CID
- 18827
- DTXSID
DTXSID3035214- ChEMBL
CHEMBL3183573- ChEBI
CHEBI:34118- UNII
- WXB511GE38
- EC Number
- 222-226-0
- Nikkaji
- J34.615B
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 69
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
FragrancesFragrance Ingredient (1-Octen-3-ol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.835-0.845
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in oils
Miscible at room temperature (in ethanol)
Boiling Point
84.00 to 85.00 °C. @ 25.00 mm Hg
175-175.2 °C
Melting Point175 °C
Refractive Index1.431-1.442
Physical Description
Solid
Colourless oily liquid; powerful sweet earthy odour with strong herbaceous note reminiscent of lavender-lavadin, rose and hay
물리화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (96.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1788 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
유해성 정보
Regulatory Information
Chemical: 1-Octen-3-ol
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 19-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21844
1-Octen-3-ol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (96.6%)
Flammable liquids - Category 4
Skin sensitization - Category 1
독성 정보
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- RH3300000
- ridadr
- 2810
- 독성
- LD50 orally in Rabbit: 340 mg/kg LD50 dermal Rabbit 3300 mg/kg
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Uses
Octenol is used, sometimes in combination with carbon dioxide, to attract insects in order to kill them with certain electronic devices. Its odor has been described as green and moldy or meaty; it is used in certain perfumes. In an animal study, octenol has been found to disrupt dopamine homeostasis and may be an environmental agent involved in parkinsonism.
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information1-Octen-3-ol: ACTIVE
응용 분야
개요l-Octen-3-ol has a powerful, sweet, earthy odor with a strong, herbaceous note reminiscent of lavender-lavandin, rose, and hay. It has a sweet, herbaceous taste. May be prepared from magnesium amyl bromide and acrolein.
출처Originally reported found in the mushroom Armillaria matsutake, a parasite growing on the radical hairs of Pinus densiflora in the forests of Japan; it has been isolated also in the essential oils of Mentha pulegium L., lavender and Mentha timjia. Also reported found in over 160 foods and beverages including banana, kumquat peel oil, berries, currants, guava, grapes, raisin, melon, pineapple, asparagus, potato, tomato, Mentha oils, thyme, wheat bread, cheeses, buttermilk, boiled egg, fish, cooked meats, hop oil, beer, cognac, rum, grape wines, cocoa, coffee, tea, pecans, plum, oats, soybean, olive, cloudberry, plums, beans, mushroom, marjoram, starfruit, sesame seed, fig, kelp, rice, beans, litchi, calamus, dill, licorice, pumpkin, buckwheat, sweet corn, corn tortilla, malt, rice, wort, krill, rosemary, Bourbon vanilla, mountain papaya, endive, lemon balm, shrimp, oyster, crab, clam, scallop, truffle, winter savory, anise hyssop and maté.
관련 반응
4건
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