Gamma-Decalactone

HCID 12813CAS 2825-92-5
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기본 정보

표준 SMILES
CCCCCCC1CCC(=O)O1
InChIKey
IFYYFLINQYPWGJ-UHFFFAOYSA-N
분자식
C10H18O2
평균 분자량
170.25 g/mol
단동위원소 질량
170.13067982

개요

Gamma-decalactone is a gamma-lactone that is oxolan-2-one substituted by a hexyl group at position 5. It has a role as a flavouring agent, an anticonvulsant and a food additive. It is a gamma-lactone and a tetrahydrofuranone.

이름 및 식별자

우선 이름
Gamma-Decalactone
IUPAC
5-hexyloxolan-2-one
영어명
5-Hexyldihydro-2(3H)-furanone
분자식
C10H18O2
분자량
170.24872

이름 및 동의어

gamma-Decalactone706-14-9gamma-Decanolactone5-hexyloxolan-2-oneDecan-4-olide2(3H)-Furanone, 5-hexyldihydro-2-Decalactone5-Hexyldihydro-2(3H)-furanone4-Hexyl-4-butanolidegamma-N-Decalactone5-Hexyltetrahydro-2-furanonegamma-Hexyl-gamma-butyrolactone
이름 더 보기
4-Hexyl-gamma-butyrolactoneFEMA No. 2360DTXSID4022109gamma-N-Hexyl-gamma-butyrolactone4-Hexyl-4-hydroxybutanoic acid lactone7HLS05KP9ONSC-24248NSC-26510

데이터베이스 식별자

CAS
2825-92-5、706-14-9
PubChem CID
12813
DTXSID
DTXSID4022109
ChEMBL
CHEMBL365740
ChEBI
CHEBI:145740
UNII
7HLS05KP9O
EC Number
211-892-8、684-209-8
Nikkaji
J14.171B

물성

구조 계산 물성

XLogP
2.7
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
5
무거운 원자 수
12

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Lactones
FragrancesFragrance Ingredient (gamma-Decalactone) -> IFRA transparency List
LogP · 2건

2.720

2.72

Food Additives · 2건

FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Food

Density0.950-0.955
Flavoring AgentsEU Flavoring substances

물리화학적 성질

끓는 점
125 · 125-127 °C(Press: 3.5 Torr)
밀도
0.9482 g/cm3 · 0.9482 g/cm3

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 92.2% (1780 of 1930) of all reports.

Not Classified

Aggregated GHS information provided per 1930 reports by companies from 12 notifications to the ECHA C&L Inventory.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 5건

Chemical: 2(3H)-Furanone, 5-hexyldihydro-

Regulation (EC) No 1831/2003 (amended)

2(3H)-Furanone, 5-hexyldihydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2(3H)-Furanone, 5-hexyldihydro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 11-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5281

2(3H)-Furanone, 5-hexyldihydro-: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

A moderate skin irritant; Causes anticonvulsant effects, altered sleep time, and decreased body temperature in acute oral studies of mice; [RTECS] Safe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; [Alfa Aesar MSDS] See Butyrolactone.

Hazard Classes and Categories · 2건

Not Classified

Skin Irrit. 2 (100%)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

UsesPermitted for use as an inert ingredient in non-food pesticide products; [EPA] Used as flavoring agent or adjuvant; [FDA]
U.S. Production2023: 8,500,000 - <10,000,000 lb
Consumer UsesFragrance
Industry UsesOther
Household ProductsInformation on 160 consumer products that contain Gamma-Decalactone in the following categories is provided:
Use Classification · 4건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

공급사5 곳

广州伟伯科技有限公司[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
SIGMA—
SIGMAALDRICH—

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