Menthone 1,2-glycerol ketal, (-)-

HCID 9964606

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1160173-26-1
표준 SMILES: CC(C)[C@@H]1CC[C@@H](C)CC12OCC(CO)O2
InChIKey: ZBJCYZPANVLBRK-IGJPJIBNSA-N
분자식: C13H24O3
평균 분자량: 228.33 g/mol
단동위원소 질량: 228.17254462

개요

L-Menthone 1,2-glycerol ketal is a p-menthane monoterpenoid.

이름 및 식별자

우선 이름: Menthone 1,2-glycerol ketal, (-)-
IUPAC: [(6S,9R)-9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-yl]methanol

이름 및 동의어

Frescolat, type MGAL-Menthone glycerol ketalFEMA no. 3807(-)-Menthone 1,2-glycerol ketalUNII-7V7GIB547YMenthone 1,2-glycerol ketal, (-)-7V7GIB547Y577746-42-01,4-Dioxaspiro(4.5)decane-2-methanol, 9-methyl-6-(1-methylethyl)-, (6S,9R)-L-Menthone-1,2-glycerol ketalDTXSID90206458563187-91-7

이름 더 보기

RefChem:201620DTXCID90128949(-)-MENTHONE (+-)-1,2-GLYCEROL KETAL63187-91-7L-Menthone 1,2-glycerol ketal(-)-Menthone (+/-)-1,2-glycerol ketal[(6S,9R)-9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-yl]methanol1-Menthone glycerol ketal

데이터베이스 식별자

CAS: 1160173-26-1、577746-42-0、63187-91-7
PubChem CID: 9964606
DTXSID: DTXSID901357388
ChEBI: CHEBI:172527
UNII: 7V7GIB547Y
EC Number: 408-200-3、613-178-5

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 38.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 241

실험 및 물리화학적 성질

CosmeticsRefreshing

FragrancesFragrance Ingredient (d,l-Menthone 1,2-glycerol ketal) -> IFRA transparency List

Food Additives · 2건

FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density · 2건

1.0306

1.0308

Flavoring Agents · 2건

EU Flavoring substances

Solubility · 4건

soluble in water, olive oil <15% and almond oil 1% w/w

(in ethanol)

soluble in water, olive oil <15% and almond oil 1% w/w

(in ethanol)

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H315: Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P273, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P362+P364, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 0.7% (11 of 1544) of reports.

Danger

H315 (99.3%): Causes skin irritation [Warning Skin corrosion/irritation]

유해성 정보

Regulatory Information · 4건

Chemical: 1,4-Dioxaspiro[4.5]decane-2-methanol, 9-methyl-6-(1-methylethyl)-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

REACH registered substance: 2-hydroxymethyl-9-methyl-6-(1-methylethyl)-1,4-dioxaspiro[4.5]decane (EC: 408-200-3)

1,4-Dioxaspiro4.5decane-2-methanol, 9-methyl-6-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 4건

Skin Irrit. 2 (100%)

Skin Irrit. 2 (99.3%)

Skin irritation - category 2

Skin Irrit. 2

화학 및 산업

용도 및 제조

Household ProductsInformation on 5 consumer products that contain Menthone 1,2-glycerol ketal in the following categories is provided:

Use Classification · 6건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index