6,6-二甲基螺[二环[3.1.1]庚-2,2'-环氧乙烷]

2,10-Epoxypinane

HCID 93046

笔记反应

子结构检索查找相似结构

基本信息

CAS: 6931-54-0
标准SMILES: CC1(C)C2CCC3(CO3)C1C2
InChIKey: OUXAABAEPHHZPC-UHFFFAOYSA-N
分子式: C10H16O
平均分子量: 152.23 g/mol
单同位素质量: 152.12011513

概述

(+)-beta-Pinene oxide has been reported in Artemisia annua with data available.

名称与标识

首选名称: 2,10-Epoxypinane
IUPAC: 6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]
中文名: 6,6-二甲基螺[二环[3.1.1]庚-2,2'-环氧乙烷]
英文名: (+)-beta-Pinene oxide
分子式: C10H16O
分子量: 152.23

名称与别名

2,10-Epoxypinanebeta-Pinene oxide6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane].beta.-Pinene oxideCCRIS 3760Spiro[bicyclo[3.1.1]heptane-2,2'-oxirane], 6,6-dimethyl-EINECS 230-055-8BRN 0105830Spiro(bicyclo(3.1.1)heptane-2,2'-oxirane), 6,6-dimethyl-DTXSID708639625-17-01-00423 (Beilstein Handbook Reference)6,6-dimethylspiro(bicyclo(3.1.1)heptane-2,2'-oxirane)

展开更多名称

迷迭玛烷beta-环氧蒎烷(+)-Β-蒎烯氧化物(+)-BETA-环氧蒎烷6,6-二甲基螺[二环[3.1.1]庚-2,2'-环氧乙烷]6,6-二甲基螺旋[二环[3.1.1]庚-2,2’-环氧乙烷](+)-β-PineneoxidePinanRosemane2,10-epoxy-pinanBETA-PINANEOXIDEbeta-pineneepoxide(+)-beta-Pinene oxid.beta.-Pinene epoxide

RefChem:80505DTXCID90219301230-055-8OUXAABAEPHHZPC-UHFFFAOYSA-N6931-54-0beta-Pinene epoxidePinane, 2,10-epoxy-(+)-Beta-Pinene oxide

数据库标识

CAS: 6931-54-0
PubChem CID: 93046
DTXSID: DTXSID70863962
EC Number: 230-055-8
Nikkaji: J195.376A

性质

结构计算性质

XLogP: 2.1
极性表面积: 12.5 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 0
重原子: 11
形式电荷: 0
复杂度: 209

实验与物化性质

FragrancesFragrance Ingredient (2,10-Epoxypinane) -> IFRA transparency List

物理化学性质

比旋光度: 6.5 · 6.5 º (neat)
沸点: 98 · 98-100 °C (27 mmHg)
密度: 0.97 · 0.97
折射率: 1.476 · 1.476-1.481
闪点: 66 °C · 66 °C
气味 (Odor): 100 % · at 100.00 %. rosemary sage herbal camphor
香型: herbal
化妆品成分功效: PERFUMING
LogP: 2.384 · 2.384 (est)
NIST化学物质信息: 3.1 · Spiro[bicyclo[3.1.1]heptane-2,2'-oxirane], 6,6-dimethyl-(6931-54-0)
EPA化学物质信息: 3.1 · Spiro[bicyclo[3.1.1]heptane-2,2'-oxirane], 6,6-dimethyl- (6931-54-0)

安全与法规

GHS分类

GHS Classification · 5 条

This chemical does not meet GHS hazard criteria for 89.9% (223 of 248) of all reports.

Warning

H317 (10.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 248 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.